REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2qlm_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.060 0.000 1.108 13 I N -0.608 119.950 120.570 -0.020 0.000 2.562 13 I HA 0.555 4.717 4.170 -0.013 0.000 0.301 13 I C 0.949 177.066 176.117 -0.001 0.000 1.003 13 I CA -0.280 61.017 61.300 -0.006 0.000 1.127 13 I CB 1.968 39.968 38.000 0.001 0.000 1.304 13 I HN 0.205 nan 8.210 nan 0.000 0.446 14 S N 3.399 119.104 115.700 0.008 0.000 2.353 14 S HA -0.164 4.298 4.470 -0.013 0.000 0.222 14 S C 1.776 176.384 174.600 0.014 0.000 1.035 14 S CA 2.132 60.338 58.200 0.011 0.000 1.025 14 S CB -0.554 62.658 63.200 0.019 0.000 0.902 14 S HN 0.800 nan 8.310 nan 0.000 0.440 15 V N 0.044 119.974 119.914 0.026 0.000 3.026 15 V HA 0.088 4.200 4.120 -0.013 0.000 0.265 15 V C 1.955 178.063 176.094 0.023 0.000 1.121 15 V CA 1.462 63.780 62.300 0.030 0.000 1.142 15 V CB -1.064 30.784 31.823 0.042 0.000 0.730 15 V HN 0.381 nan 8.190 nan 0.000 0.503 16 R N 1.159 121.664 120.500 0.008 0.000 2.310 16 R HA 0.429 4.761 4.340 -0.013 0.000 0.202 16 R C 1.153 177.444 176.300 -0.016 0.000 0.933 16 R CA 0.569 56.667 56.100 -0.003 0.000 1.054 16 R CB 0.018 30.312 30.300 -0.009 0.000 0.985 16 R HN 0.773 nan 8.270 nan 0.000 0.489 17 G N 0.608 109.398 108.800 -0.016 0.000 2.685 17 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.387 17 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.387 17 G C -0.957 173.927 174.900 -0.027 0.000 1.324 17 G CA -1.077 44.006 45.100 -0.029 0.000 0.878 17 G HN -0.035 nan 8.290 nan 0.000 0.527 18 L N 0.483 121.687 121.223 -0.032 0.000 2.395 18 L HA 0.657 4.989 4.340 -0.013 0.000 0.269 18 L C 1.256 178.110 176.870 -0.026 0.000 1.133 18 L CA 0.519 55.344 54.840 -0.026 0.000 0.812 18 L CB 1.109 43.154 42.059 -0.024 0.000 1.125 18 L HN 1.578 nan 8.230 nan 0.000 0.452 19 A N 2.511 125.319 122.820 -0.020 0.000 3.047 19 A HA 0.582 4.894 4.320 -0.013 0.000 0.337 19 A C 0.605 178.184 177.584 -0.008 0.000 1.143 19 A CA -0.346 51.681 52.037 -0.016 0.000 0.905 19 A CB -0.210 18.779 19.000 -0.018 0.000 1.088 19 A HN 0.778 nan 8.150 nan 0.000 0.488 20 G N -0.255 108.541 108.800 -0.007 0.000 2.491 20 G HA2 0.367 4.319 3.960 -0.013 0.000 0.242 20 G HA3 0.367 4.319 3.960 -0.013 0.000 0.242 20 G C 1.016 175.919 174.900 0.006 0.000 1.266 20 G CA -0.068 45.032 45.100 -0.001 0.000 0.844 20 G HN 0.415 nan 8.290 nan 0.000 0.571 21 V N 1.564 121.482 119.914 0.008 0.000 2.282 21 V HA -0.212 3.900 4.120 -0.013 0.000 0.249 21 V C 2.702 178.806 176.094 0.017 0.000 1.057 21 V CA 2.516 64.823 62.300 0.012 0.000 1.032 21 V CB -0.610 31.219 31.823 0.010 0.000 0.645 21 V HN 0.854 nan 8.190 nan 0.000 0.447 22 E N 0.349 120.560 120.200 0.017 0.000 2.051 22 E HA -0.202 4.140 4.350 -0.013 0.000 0.192 22 E C 2.036 178.656 176.600 0.034 0.000 0.991 22 E CA 1.731 58.145 56.400 0.023 0.000 0.799 22 E CB -0.237 29.476 29.700 0.021 0.000 0.748 22 E HN 0.640 nan 8.360 nan 0.000 0.449 23 N N -0.927 117.792 118.700 0.031 0.000 2.084 23 N HA -0.137 4.595 4.740 -0.013 0.000 0.190 23 N C 1.621 177.157 175.510 0.044 0.000 1.030 23 N CA 1.328 54.403 53.050 0.041 0.000 0.849 23 N CB -0.028 38.469 38.487 0.016 0.000 1.012 23 N HN -0.011 nan 8.380 nan 0.000 0.423 24 V N 0.157 120.088 119.914 0.029 0.000 2.295 24 V HA -0.235 3.878 4.120 -0.013 0.000 0.246 24 V C 2.035 178.151 176.094 0.037 0.000 1.049 24 V CA 1.909 64.225 62.300 0.028 0.000 1.024 24 V CB -0.936 30.899 31.823 0.019 0.000 0.648 24 V HN 0.415 nan 8.190 nan 0.000 0.447 25 T N -0.620 113.955 114.554 0.035 0.000 2.746 25 T HA -0.232 4.111 4.350 -0.013 0.000 0.267 25 T C 1.926 176.659 174.700 0.055 0.000 1.039 25 T CA 1.823 63.945 62.100 0.037 0.000 1.142 25 T CB -0.210 68.675 68.868 0.029 0.000 0.866 25 T HN 0.449 nan 8.240 nan 0.000 0.444 26 E N 0.846 121.086 120.200 0.066 0.000 2.072 26 E HA 0.010 4.352 4.350 -0.013 0.000 0.191 26 E C 2.043 178.719 176.600 0.127 0.000 0.985 26 E CA 0.780 57.232 56.400 0.087 0.000 0.801 26 E CB -0.459 29.297 29.700 0.093 0.000 0.750 26 E HN 0.436 nan 8.360 nan 0.000 0.452 27 L N 0.102 121.408 121.223 0.138 0.000 2.046 27 L HA -0.178 4.154 4.340 -0.013 0.000 0.208 27 L C 2.390 179.368 176.870 0.181 0.000 1.077 27 L CA 1.385 56.331 54.840 0.177 0.000 0.747 27 L CB -0.306 41.832 42.059 0.132 0.000 0.896 27 L HN 0.061 nan 8.230 nan 0.000 0.432 28 K N 0.477 120.943 120.400 0.111 0.000 2.057 28 K HA -0.212 4.100 4.320 -0.013 0.000 0.207 28 K C 2.130 178.828 176.600 0.163 0.000 1.049 28 K CA 1.777 58.119 56.287 0.091 0.000 0.931 28 K CB -0.069 32.447 32.500 0.026 0.000 0.714 28 K HN 0.383 nan 8.250 nan 0.000 0.440 29 K N 0.079 120.557 120.400 0.131 0.000 2.167 29 K HA -0.020 4.292 4.320 -0.013 0.000 0.203 29 K C 1.542 178.226 176.600 0.141 0.000 1.052 29 K CA 1.189 57.548 56.287 0.120 0.000 0.956 29 K CB -0.064 32.480 32.500 0.073 0.000 0.735 29 K HN -0.011 nan 8.250 nan 0.000 0.451 30 N N 0.507 119.301 118.700 0.157 0.000 2.270 30 N HA -0.106 4.626 4.740 -0.013 0.000 0.181 30 N C 1.540 177.199 175.510 0.248 0.000 1.016 30 N CA 0.884 54.020 53.050 0.144 0.000 0.870 30 N CB -0.221 38.362 38.487 0.160 0.000 0.979 30 N HN 0.217 nan 8.380 nan 0.000 0.431 31 F N 2.508 122.558 119.950 0.166 0.000 2.102 31 F HA -0.091 4.429 4.527 -0.013 0.000 0.298 31 F C 2.014 177.920 175.800 0.176 0.000 1.105 31 F CA 1.245 59.359 58.000 0.189 0.000 1.239 31 F CB -0.127 38.956 39.000 0.138 0.000 0.991 31 F HN -0.038 nan 8.300 nan 0.000 0.474 32 N N 0.499 119.440 118.700 0.401 0.000 2.166 32 N HA -0.188 4.544 4.740 -0.013 0.000 0.186 32 N C 2.015 177.618 175.510 0.156 0.000 1.019 32 N CA 1.136 54.344 53.050 0.263 0.000 0.856 32 N CB -0.565 38.052 38.487 0.216 0.000 0.993 32 N HN 0.373 nan 8.380 nan 0.000 0.426 33 R N 0.301 120.886 120.500 0.142 0.000 2.073 33 R HA -0.106 4.226 4.340 -0.013 0.000 0.234 33 R C 1.785 178.171 176.300 0.145 0.000 1.134 33 R CA 1.488 57.693 56.100 0.175 0.000 0.952 33 R CB -0.201 30.120 30.300 0.036 0.000 0.850 33 R HN 0.389 nan 8.270 nan 0.000 0.433 34 H N -0.480 118.630 119.070 0.067 0.000 2.389 34 H HA -0.111 4.437 4.556 -0.013 0.000 0.299 34 H C 1.876 177.135 175.328 -0.115 0.000 1.081 34 H CA 1.362 57.380 56.048 -0.050 0.000 1.345 34 H CB 0.098 29.787 29.762 -0.123 0.000 1.393 34 H HN 0.119 nan 8.280 nan 0.000 0.520 35 L N -0.040 121.165 121.223 -0.031 0.000 2.042 35 L HA -0.197 4.135 4.340 -0.013 0.000 0.210 35 L C 2.205 179.056 176.870 -0.031 0.000 1.076 35 L CA 1.887 56.686 54.840 -0.068 0.000 0.749 35 L CB -0.430 41.610 42.059 -0.032 0.000 0.893 35 L HN 0.311 nan 8.230 nan 0.000 0.432 36 H N -1.878 117.125 119.070 -0.111 0.000 2.276 36 H HA -0.062 4.486 4.556 -0.013 0.000 0.307 36 H C 1.806 176.942 175.328 -0.320 0.000 1.061 36 H CA 2.238 58.127 56.048 -0.266 0.000 1.336 36 H CB -0.238 29.279 29.762 -0.409 0.000 1.396 36 H HN 0.286 nan 8.280 nan 0.000 0.503 37 F N -0.516 119.428 119.950 -0.011 0.000 2.270 37 F HA -0.003 4.516 4.527 -0.013 0.000 0.295 37 F C 2.569 178.298 175.800 -0.118 0.000 1.087 37 F CA 1.337 59.289 58.000 -0.081 0.000 1.365 37 F CB -0.293 38.693 39.000 -0.023 0.000 1.056 37 F HN 0.171 nan 8.300 nan 0.000 0.506 38 T N -0.080 114.509 114.554 0.057 0.000 2.939 38 T HA 0.078 4.420 4.350 -0.013 0.000 0.254 38 T C 1.924 176.525 174.700 -0.164 0.000 1.041 38 T CA 0.850 62.906 62.100 -0.074 0.000 1.142 38 T CB -0.226 68.567 68.868 -0.126 0.000 0.874 38 T HN 0.108 nan 8.240 nan 0.000 0.452 39 L N 1.058 122.186 121.223 -0.159 0.000 2.529 39 L HA 0.225 4.558 4.340 -0.013 0.000 0.223 39 L C 0.342 177.114 176.870 -0.163 0.000 1.113 39 L CA -0.104 54.632 54.840 -0.173 0.000 0.861 39 L CB 0.021 41.986 42.059 -0.156 0.000 1.012 39 L HN -0.035 nan 8.230 nan 0.000 0.461 40 V N 0.738 120.538 119.914 -0.190 0.000 6.078 40 V HA -0.275 3.837 4.120 -0.013 0.000 0.301 40 V C -0.103 175.875 176.094 -0.194 0.000 0.571 40 V CA 1.123 63.282 62.300 -0.235 0.000 0.625 40 V CB -2.190 29.523 31.823 -0.185 0.000 0.271 40 V HN 0.442 nan 8.190 nan 0.000 0.788 41 K N 1.062 121.354 120.400 -0.180 0.000 2.512 41 K HA 0.659 4.971 4.320 -0.013 0.000 0.263 41 K C -0.598 175.966 176.600 -0.059 0.000 0.966 41 K CA -0.608 55.611 56.287 -0.113 0.000 0.851 41 K CB 2.908 35.344 32.500 -0.107 0.000 1.395 41 K HN 0.496 nan 8.250 nan 0.000 0.440 42 D N -0.057 120.333 120.400 -0.017 0.000 2.414 42 D HA 0.278 4.910 4.640 -0.013 0.000 0.241 42 D C 0.636 176.976 176.300 0.066 0.000 1.008 42 D CA -0.626 53.401 54.000 0.046 0.000 1.001 42 D CB 0.985 41.814 40.800 0.049 0.000 1.277 42 D HN 0.146 nan 8.370 nan 0.000 0.538 43 R N 0.085 120.658 120.500 0.122 0.000 2.303 43 R HA -0.045 4.287 4.340 -0.013 0.000 0.225 43 R C 0.751 177.132 176.300 0.134 0.000 1.114 43 R CA 0.513 56.726 56.100 0.189 0.000 1.007 43 R CB -0.623 29.789 30.300 0.187 0.000 0.861 43 R HN 0.498 nan 8.270 nan 0.000 0.471 44 N N -0.059 118.686 118.700 0.074 0.000 2.376 44 N HA -0.071 4.661 4.740 -0.013 0.000 0.177 44 N C 1.580 177.108 175.510 0.030 0.000 1.024 44 N CA 1.124 54.205 53.050 0.051 0.000 0.893 44 N CB 0.331 38.838 38.487 0.033 0.000 0.980 44 N HN 0.216 nan 8.380 nan 0.000 0.439 45 V N -3.079 116.840 119.914 0.008 0.000 3.477 45 V HA 0.553 4.666 4.120 -0.013 0.000 0.297 45 V C 0.694 176.753 176.094 -0.059 0.000 1.433 45 V CA -0.584 61.705 62.300 -0.019 0.000 1.052 45 V CB -0.295 31.513 31.823 -0.025 0.000 0.895 45 V HN 0.039 nan 8.190 nan 0.000 0.438 46 A N 2.241 125.002 122.820 -0.098 0.000 2.450 46 A HA 0.607 4.919 4.320 -0.013 0.000 0.255 46 A C 0.751 178.144 177.584 -0.318 0.000 1.096 46 A CA 0.673 52.541 52.037 -0.282 0.000 0.778 46 A CB -0.073 18.632 19.000 -0.491 0.000 1.031 46 A HN 0.773 nan 8.150 nan 0.000 0.494 47 T N 0.536 114.918 114.554 -0.287 0.000 2.912 47 T HA 0.519 4.862 4.350 -0.013 0.000 0.280 47 T C -2.044 172.547 174.700 -0.181 0.000 0.989 47 T CA -1.701 60.307 62.100 -0.153 0.000 0.995 47 T CB 0.991 69.822 68.868 -0.061 0.000 1.077 47 T HN 0.274 nan 8.240 nan 0.000 0.531 48 P HA -0.093 nan 4.420 nan 0.000 0.217 48 P C 1.606 179.000 177.300 0.157 0.000 1.148 48 P CA 0.921 64.137 63.100 0.194 0.000 0.828 48 P CB 0.045 31.834 31.700 0.148 0.000 0.783 49 R N 0.066 120.607 120.500 0.069 0.000 2.081 49 R HA -0.140 4.192 4.340 -0.013 0.000 0.235 49 R C 1.692 178.140 176.300 0.248 0.000 1.131 49 R CA 1.772 57.943 56.100 0.118 0.000 0.960 49 R CB -0.686 29.620 30.300 0.010 0.000 0.856 49 R HN 0.098 nan 8.270 nan 0.000 0.436 50 D N -0.343 120.104 120.400 0.077 0.000 2.123 50 D HA -0.196 4.436 4.640 -0.013 0.000 0.196 50 D C 1.729 178.056 176.300 0.045 0.000 0.992 50 D CA 1.330 55.338 54.000 0.013 0.000 0.833 50 D CB -0.288 40.382 40.800 -0.216 0.000 0.954 50 D HN 0.308 nan 8.370 nan 0.000 0.455 51 Y N 0.123 120.528 120.300 0.174 0.000 2.181 51 Y HA -0.203 4.339 4.550 -0.013 0.000 0.288 51 Y C 2.327 178.371 175.900 0.239 0.000 1.146 51 Y CA 0.277 58.530 58.100 0.255 0.000 1.164 51 Y CB -1.187 37.471 38.460 0.329 0.000 0.982 51 Y HN 0.090 nan 8.280 nan 0.000 0.515 52 Y N -0.437 120.001 120.300 0.230 0.000 2.097 52 Y HA -0.298 4.244 4.550 -0.013 0.000 0.282 52 Y C 2.038 177.921 175.900 -0.029 0.000 1.152 52 Y CA 1.385 59.518 58.100 0.056 0.000 1.136 52 Y CB -1.185 37.202 38.460 -0.122 0.000 0.975 52 Y HN 0.051 nan 8.280 nan 0.000 0.498 53 F N 0.229 119.956 119.950 -0.373 0.000 2.171 53 F HA -0.164 4.355 4.527 -0.013 0.000 0.300 53 F C 2.655 178.290 175.800 -0.276 0.000 1.090 53 F CA 1.236 58.967 58.000 -0.448 0.000 1.293 53 F CB -0.762 38.146 39.000 -0.153 0.000 1.013 53 F HN 0.218 nan 8.300 nan 0.000 0.486 54 A N -0.150 122.611 122.820 -0.098 0.000 1.902 54 A HA -0.196 4.116 4.320 -0.013 0.000 0.217 54 A C 2.045 179.483 177.584 -0.244 0.000 1.181 54 A CA 1.621 53.456 52.037 -0.336 0.000 0.623 54 A CB -0.982 17.484 19.000 -0.889 0.000 0.818 54 A HN 0.354 nan 8.150 nan 0.000 0.443 55 L N -0.282 120.925 121.223 -0.026 0.000 2.027 55 L HA -0.006 4.327 4.340 -0.013 0.000 0.206 55 L C 2.695 179.560 176.870 -0.009 0.000 1.074 55 L CA 2.168 57.125 54.840 0.195 0.000 0.745 55 L CB -0.999 41.249 42.059 0.314 0.000 0.898 55 L HN 0.343 nan 8.230 nan 0.000 0.433 56 A N -1.087 121.560 122.820 -0.289 0.000 1.892 56 A HA -0.311 4.001 4.320 -0.013 0.000 0.218 56 A C 2.167 179.422 177.584 -0.550 0.000 1.188 56 A CA 2.160 53.902 52.037 -0.492 0.000 0.631 56 A CB -1.203 17.183 19.000 -1.022 0.000 0.822 56 A HN 0.685 nan 8.150 nan 0.000 0.447 57 H N -0.782 117.980 119.070 -0.514 0.000 2.387 57 H HA -0.065 4.483 4.556 -0.013 0.000 0.299 57 H C 2.350 177.412 175.328 -0.442 0.000 1.090 57 H CA 1.999 57.671 56.048 -0.627 0.000 1.332 57 H CB -0.195 28.943 29.762 -1.039 0.000 1.386 57 H HN 0.487 nan 8.280 nan 0.000 0.516 58 T N -0.394 114.115 114.554 -0.076 0.000 2.737 58 T HA -0.127 4.215 4.350 -0.013 0.000 0.265 58 T C 2.278 177.142 174.700 0.275 0.000 1.038 58 T CA 1.353 63.587 62.100 0.224 0.000 1.144 58 T CB -0.407 68.656 68.868 0.325 0.000 0.866 58 T HN 0.096 nan 8.240 nan 0.000 0.434 59 V N 1.719 121.768 119.914 0.225 0.000 2.358 59 V HA -0.139 3.973 4.120 -0.013 0.000 0.246 59 V C 2.635 178.906 176.094 0.294 0.000 1.047 59 V CA 1.579 64.048 62.300 0.282 0.000 1.035 59 V CB -0.666 31.313 31.823 0.260 0.000 0.658 59 V HN 0.378 nan 8.190 nan 0.000 0.452 60 R N 0.268 120.892 120.500 0.207 0.000 2.105 60 R HA -0.232 4.100 4.340 -0.013 0.000 0.239 60 R C 1.942 178.338 176.300 0.160 0.000 1.135 60 R CA 2.166 58.376 56.100 0.183 0.000 0.967 60 R CB -0.459 29.794 30.300 -0.078 0.000 0.861 60 R HN 0.481 nan 8.270 nan 0.000 0.442 61 D N -0.208 120.275 120.400 0.138 0.000 2.149 61 D HA -0.169 4.463 4.640 -0.013 0.000 0.198 61 D C 1.737 178.046 176.300 0.015 0.000 0.990 61 D CA 1.141 55.191 54.000 0.084 0.000 0.839 61 D CB -0.391 40.451 40.800 0.069 0.000 0.948 61 D HN 0.463 nan 8.370 nan 0.000 0.460 62 H N -0.339 118.792 119.070 0.101 0.000 2.495 62 H HA 0.053 4.601 4.556 -0.013 0.000 0.287 62 H C 2.194 177.558 175.328 0.060 0.000 1.033 62 H CA 0.378 56.469 56.048 0.072 0.000 1.307 62 H CB 0.285 30.082 29.762 0.058 0.000 1.401 62 H HN 0.203 nan 8.280 nan 0.000 0.555 63 L N -0.183 121.144 121.223 0.173 0.000 2.179 63 L HA -0.100 4.233 4.340 -0.013 0.000 0.208 63 L C 2.539 179.509 176.870 0.167 0.000 1.096 63 L CA 0.216 55.121 54.840 0.108 0.000 0.779 63 L CB -0.090 41.995 42.059 0.042 0.000 0.922 63 L HN 0.021 nan 8.230 nan 0.000 0.443 64 V N 0.262 120.293 119.914 0.196 0.000 2.255 64 V HA -0.270 3.842 4.120 -0.013 0.000 0.247 64 V C 2.629 178.832 176.094 0.183 0.000 1.051 64 V CA 2.203 64.651 62.300 0.247 0.000 1.018 64 V CB -1.382 30.543 31.823 0.170 0.000 0.641 64 V HN 0.574 nan 8.190 nan 0.000 0.445 65 G N -0.355 108.507 108.800 0.104 0.000 2.446 65 G HA2 -0.271 3.681 3.960 -0.013 0.000 0.217 65 G HA3 -0.271 3.681 3.960 -0.013 0.000 0.217 65 G C 1.743 176.686 174.900 0.073 0.000 1.168 65 G CA 0.952 46.091 45.100 0.064 0.000 0.771 65 G HN 0.459 nan 8.290 nan 0.000 0.551 66 R N -1.465 119.087 120.500 0.086 0.000 2.096 66 R HA -0.070 4.262 4.340 -0.013 0.000 0.235 66 R C 2.260 178.637 176.300 0.127 0.000 1.127 66 R CA 1.151 57.289 56.100 0.064 0.000 0.968 66 R CB -0.348 29.973 30.300 0.035 0.000 0.861 66 R HN 0.480 nan 8.270 nan 0.000 0.440 67 W N 1.495 122.771 121.300 -0.040 0.000 2.355 67 W HA -0.063 4.589 4.660 -0.013 0.000 0.309 67 W C 1.708 178.196 176.519 -0.053 0.000 1.206 67 W CA 0.910 58.228 57.345 -0.045 0.000 1.284 67 W CB -0.599 28.852 29.460 -0.015 0.000 1.145 67 W HN -0.036 nan 8.180 nan 0.000 0.502 68 I N 1.048 121.671 120.570 0.088 0.000 2.179 68 I HA -0.348 3.814 4.170 -0.013 0.000 0.242 68 I C 2.682 178.778 176.117 -0.034 0.000 1.088 68 I CA 2.062 63.332 61.300 -0.050 0.000 1.357 68 I CB -0.615 37.361 38.000 -0.041 0.000 1.051 68 I HN -0.020 nan 8.210 nan 0.000 0.409 69 R N 0.205 120.700 120.500 -0.008 0.000 2.153 69 R HA -0.025 4.308 4.340 -0.013 0.000 0.218 69 R C 1.895 178.156 176.300 -0.065 0.000 1.072 69 R CA 1.389 57.474 56.100 -0.025 0.000 0.990 69 R CB -1.117 29.171 30.300 -0.021 0.000 0.889 69 R HN 0.180 nan 8.270 nan 0.000 0.452 70 T N 1.607 116.100 114.554 -0.102 0.000 2.708 70 T HA -0.095 4.247 4.350 -0.013 0.000 0.266 70 T C 1.795 176.229 174.700 -0.443 0.000 1.037 70 T CA 1.292 63.221 62.100 -0.285 0.000 1.146 70 T CB -0.087 68.653 68.868 -0.213 0.000 0.865 70 T HN 0.226 nan 8.240 nan 0.000 0.435 71 Q N 1.271 120.959 119.800 -0.186 0.000 2.119 71 Q HA -0.118 4.214 4.340 -0.013 0.000 0.201 71 Q C 2.525 178.536 176.000 0.019 0.000 0.972 71 Q CA 1.325 57.091 55.803 -0.061 0.000 0.847 71 Q CB -0.539 28.187 28.738 -0.019 0.000 0.903 71 Q HN 0.820 nan 8.270 nan 0.000 0.433 72 Q N -0.563 119.236 119.800 -0.002 0.000 2.167 72 Q HA -0.209 4.123 4.340 -0.013 0.000 0.202 72 Q C 1.784 177.862 176.000 0.131 0.000 0.970 72 Q CA 1.620 57.462 55.803 0.065 0.000 0.855 72 Q CB -0.496 28.255 28.738 0.022 0.000 0.911 72 Q HN 0.438 nan 8.270 nan 0.000 0.438 73 H N 0.132 119.171 119.070 -0.052 0.000 2.321 73 H HA -0.176 4.372 4.556 -0.013 0.000 0.300 73 H C 1.205 176.591 175.328 0.096 0.000 1.087 73 H CA 2.248 58.275 56.048 -0.036 0.000 1.319 73 H CB -0.247 29.422 29.762 -0.154 0.000 1.379 73 H HN 0.324 nan 8.280 nan 0.000 0.501 74 Y N -1.013 119.336 120.300 0.081 0.000 2.274 74 Y HA -0.197 4.345 4.550 -0.013 0.000 0.290 74 Y C 2.422 178.352 175.900 0.052 0.000 1.145 74 Y CA 1.048 59.166 58.100 0.031 0.000 1.203 74 Y CB -1.330 37.198 38.460 0.113 0.000 0.984 74 Y HN 0.367 nan 8.280 nan 0.000 0.533 75 Y N 1.210 121.590 120.300 0.132 0.000 2.200 75 Y HA -0.177 4.365 4.550 -0.013 0.000 0.290 75 Y C 2.139 178.048 175.900 0.015 0.000 1.137 75 Y CA 1.742 59.884 58.100 0.070 0.000 1.163 75 Y CB -0.012 38.481 38.460 0.056 0.000 0.988 75 Y HN 0.023 nan 8.280 nan 0.000 0.518 76 E N 0.351 120.576 120.200 0.042 0.000 2.046 76 E HA -0.152 4.190 4.350 -0.013 0.000 0.190 76 E C 2.007 178.530 176.600 -0.128 0.000 0.982 76 E CA 1.198 57.562 56.400 -0.060 0.000 0.800 76 E CB -0.266 29.440 29.700 0.010 0.000 0.756 76 E HN 0.491 nan 8.360 nan 0.000 0.449 77 K N 0.682 120.986 120.400 -0.159 0.000 2.296 77 K HA -0.082 4.230 4.320 -0.013 0.000 0.200 77 K C 0.000 176.538 176.600 -0.103 0.000 1.048 77 K CA 0.447 56.640 56.287 -0.158 0.000 0.966 77 K CB -0.033 32.306 32.500 -0.268 0.000 0.754 77 K HN -0.005 nan 8.250 nan 0.000 0.466 78 D N 1.060 121.407 120.400 -0.088 0.000 2.740 78 D HA -0.106 4.526 4.640 -0.013 0.000 0.231 78 D C -2.400 173.868 176.300 -0.053 0.000 1.194 78 D CA 0.101 54.057 54.000 -0.074 0.000 0.673 78 D CB -0.062 40.663 40.800 -0.124 0.000 0.995 78 D HN 0.179 nan 8.370 nan 0.000 0.411 79 P HA 0.097 nan 4.420 nan 0.000 0.277 79 P C -0.128 177.129 177.300 -0.071 0.000 1.271 79 P CA -0.607 62.457 63.100 -0.059 0.000 0.795 79 P CB 0.608 32.262 31.700 -0.076 0.000 1.101 80 K N 1.088 121.448 120.400 -0.067 0.000 2.451 80 K HA 0.036 4.348 4.320 -0.013 0.000 0.280 80 K C 0.139 176.649 176.600 -0.150 0.000 1.020 80 K CA -0.095 56.145 56.287 -0.080 0.000 1.008 80 K CB 0.283 32.753 32.500 -0.051 0.000 0.917 80 K HN 0.296 nan 8.250 nan 0.000 0.478 81 R N 4.413 124.807 120.500 -0.177 0.000 2.368 81 R HA 0.348 4.680 4.340 -0.013 0.000 0.302 81 R C -0.190 175.827 176.300 -0.472 0.000 1.002 81 R CA -0.854 55.053 56.100 -0.322 0.000 0.929 81 R CB 0.758 30.862 30.300 -0.326 0.000 1.073 81 R HN 0.499 nan 8.270 nan 0.000 0.464 82 I N 3.592 123.832 120.570 -0.551 0.000 2.336 82 I HA 0.255 4.417 4.170 -0.013 0.000 0.292 82 I C -0.409 175.397 176.117 -0.519 0.000 0.991 82 I CA -1.030 59.903 61.300 -0.612 0.000 1.227 82 I CB 0.423 37.938 38.000 -0.807 0.000 1.366 82 I HN 0.434 nan 8.210 nan 0.000 0.466 83 Y N 5.942 126.202 120.300 -0.067 0.000 2.388 83 Y HA 0.292 4.834 4.550 -0.013 0.000 0.328 83 Y C -0.319 175.679 175.900 0.164 0.000 0.963 83 Y CA -0.740 57.444 58.100 0.139 0.000 1.240 83 Y CB 1.092 39.595 38.460 0.071 0.000 1.118 83 Y HN 0.403 nan 8.280 nan 0.000 0.484 84 Y N 4.467 124.942 120.300 0.290 0.000 2.454 84 Y HA 0.491 5.033 4.550 -0.013 0.000 0.345 84 Y C -1.229 174.931 175.900 0.434 0.000 0.970 84 Y CA -0.857 57.424 58.100 0.302 0.000 1.204 84 Y CB 0.328 38.964 38.460 0.293 0.000 1.122 84 Y HN 0.510 nan 8.280 nan 0.000 0.514 85 L N 5.092 126.368 121.223 0.090 0.000 2.264 85 L HA 0.498 4.831 4.340 -0.013 0.000 0.289 85 L C -0.282 176.616 176.870 0.046 0.000 1.044 85 L CA 0.099 55.052 54.840 0.189 0.000 0.807 85 L CB 1.440 43.575 42.059 0.127 0.000 1.192 85 L HN 0.565 nan 8.230 nan 0.000 0.425 86 S N 2.631 118.435 115.700 0.173 0.000 2.536 86 S HA 0.463 4.925 4.470 -0.013 0.000 0.271 86 S C 0.404 175.088 174.600 0.140 0.000 1.134 86 S CA -0.618 57.583 58.200 0.001 0.000 0.897 86 S CB 1.024 63.994 63.200 -0.384 0.000 1.094 86 S HN 0.495 nan 8.310 nan 0.000 0.473 87 L N 2.488 123.834 121.223 0.204 0.000 2.554 87 L HA 0.329 4.661 4.340 -0.013 0.000 0.226 87 L C 0.270 177.331 176.870 0.319 0.000 1.137 87 L CA 1.254 56.280 54.840 0.310 0.000 0.863 87 L CB -0.780 41.477 42.059 0.330 0.000 0.985 87 L HN 0.697 nan 8.230 nan 0.000 0.451 88 E N -0.847 119.411 120.200 0.097 0.000 2.256 88 E HA 0.384 4.727 4.350 -0.013 0.000 0.268 88 E C -1.483 174.981 176.600 -0.227 0.000 0.877 88 E CA -0.373 56.062 56.400 0.058 0.000 0.757 88 E CB 1.972 31.687 29.700 0.025 0.000 1.183 88 E HN -0.142 nan 8.360 nan 0.000 0.418 89 F N 2.252 122.310 119.950 0.181 0.000 2.771 89 F HA 0.176 4.695 4.527 -0.013 0.000 0.365 89 F C -0.785 175.101 175.800 0.142 0.000 1.169 89 F CA -0.795 57.298 58.000 0.154 0.000 1.093 89 F CB 0.917 39.997 39.000 0.134 0.000 1.363 89 F HN 0.491 nan 8.300 nan 0.000 0.496 90 Y N 5.200 125.574 120.300 0.123 0.000 2.632 90 Y HA 0.212 4.755 4.550 -0.013 0.000 0.336 90 Y C 0.933 176.849 175.900 0.027 0.000 1.237 90 Y CA -0.959 57.163 58.100 0.037 0.000 1.595 90 Y CB 0.323 38.788 38.460 0.009 0.000 1.508 90 Y HN 0.553 nan 8.280 nan 0.000 0.480 91 M N 1.371 121.088 119.600 0.195 0.000 2.334 91 M HA 0.123 4.595 4.480 -0.013 0.000 0.266 91 M C 1.581 177.844 176.300 -0.061 0.000 1.082 91 M CA 1.049 56.374 55.300 0.042 0.000 1.141 91 M CB -1.128 31.477 32.600 0.008 0.000 1.380 91 M HN 0.686 nan 8.290 nan 0.000 0.440 92 G N 1.332 110.102 108.800 -0.050 0.000 2.569 92 G HA2 -0.279 3.674 3.960 -0.013 0.000 0.259 92 G HA3 -0.279 3.674 3.960 -0.013 0.000 0.259 92 G C -0.214 174.633 174.900 -0.088 0.000 1.263 92 G CA -0.254 44.781 45.100 -0.107 0.000 0.928 92 G HN 0.439 nan 8.290 nan 0.000 0.572 93 R N -0.772 119.659 120.500 -0.116 0.000 2.560 93 R HA 0.581 4.913 4.340 -0.013 0.000 0.270 93 R C 1.070 177.252 176.300 -0.196 0.000 1.074 93 R CA 0.279 56.323 56.100 -0.093 0.000 1.140 93 R CB 0.747 31.000 30.300 -0.078 0.000 1.073 93 R HN 0.521 nan 8.270 nan 0.000 0.527 94 T N 0.989 115.381 114.554 -0.270 0.000 2.978 94 T HA -0.004 4.339 4.350 -0.013 0.000 0.248 94 T C 1.411 175.737 174.700 -0.622 0.000 1.018 94 T CA -0.132 61.597 62.100 -0.618 0.000 1.026 94 T CB 0.147 68.278 68.868 -1.228 0.000 1.032 94 T HN 0.311 nan 8.240 nan 0.000 0.485 95 L N 1.923 123.004 121.223 -0.236 0.000 1.976 95 L HA -0.010 4.322 4.340 -0.013 0.000 0.209 95 L C 2.456 179.295 176.870 -0.051 0.000 1.071 95 L CA 2.008 56.862 54.840 0.024 0.000 0.746 95 L CB -0.643 41.640 42.059 0.373 0.000 0.890 95 L HN 0.178 nan 8.230 nan 0.000 0.432 96 Q N -0.797 118.967 119.800 -0.060 0.000 2.079 96 Q HA -0.241 4.091 4.340 -0.013 0.000 0.200 96 Q C 2.225 178.153 176.000 -0.121 0.000 0.974 96 Q CA 1.748 57.509 55.803 -0.071 0.000 0.840 96 Q CB -0.295 28.399 28.738 -0.075 0.000 0.898 96 Q HN 0.691 nan 8.270 nan 0.000 0.430 97 N N -0.943 117.646 118.700 -0.186 0.000 2.104 97 N HA -0.151 4.581 4.740 -0.013 0.000 0.190 97 N C 1.359 176.758 175.510 -0.184 0.000 1.024 97 N CA 1.830 54.759 53.050 -0.202 0.000 0.853 97 N CB 0.064 38.396 38.487 -0.258 0.000 1.008 97 N HN 0.236 nan 8.380 nan 0.000 0.424 98 T N 1.281 115.692 114.554 -0.238 0.000 2.777 98 T HA -0.061 4.281 4.350 -0.013 0.000 0.266 98 T C 2.086 176.721 174.700 -0.108 0.000 1.040 98 T CA 1.070 63.047 62.100 -0.205 0.000 1.141 98 T CB -0.082 68.616 68.868 -0.283 0.000 0.868 98 T HN 0.258 nan 8.240 nan 0.000 0.444 99 M N 0.639 120.194 119.600 -0.075 0.000 2.086 99 M HA -0.102 4.370 4.480 -0.013 0.000 0.261 99 M C 2.500 178.766 176.300 -0.056 0.000 1.067 99 M CA 1.318 56.587 55.300 -0.051 0.000 1.116 99 M CB -0.717 31.869 32.600 -0.023 0.000 1.348 99 M HN 0.092 nan 8.290 nan 0.000 0.407 100 V N 1.030 120.916 119.914 -0.046 0.000 2.287 100 V HA -0.290 3.822 4.120 -0.013 0.000 0.248 100 V C 1.812 177.921 176.094 0.024 0.000 1.053 100 V CA 2.021 64.321 62.300 -0.001 0.000 1.027 100 V CB -0.905 30.918 31.823 -0.001 0.000 0.646 100 V HN 0.482 nan 8.190 nan 0.000 0.447 101 N N -0.424 118.274 118.700 -0.003 0.000 2.459 101 N HA -0.035 4.697 4.740 -0.013 0.000 0.181 101 N C 1.075 176.490 175.510 -0.157 0.000 1.046 101 N CA 0.706 53.738 53.050 -0.030 0.000 0.904 101 N CB -0.095 38.381 38.487 -0.019 0.000 0.964 101 N HN 0.298 nan 8.380 nan 0.000 0.444 102 L N -0.174 120.973 121.223 -0.127 0.000 2.640 102 L HA 0.400 4.733 4.340 -0.013 0.000 0.230 102 L C 0.576 177.359 176.870 -0.144 0.000 1.123 102 L CA -0.251 54.510 54.840 -0.131 0.000 0.900 102 L CB -0.691 41.312 42.059 -0.094 0.000 1.146 102 L HN 0.091 nan 8.230 nan 0.000 0.484 103 A N -0.570 122.163 122.820 -0.145 0.000 2.822 103 A HA -0.224 4.089 4.320 -0.013 0.000 0.287 103 A C 1.084 178.608 177.584 -0.100 0.000 1.479 103 A CA 1.000 52.965 52.037 -0.121 0.000 0.779 103 A CB -1.916 16.999 19.000 -0.141 0.000 1.022 103 A HN 0.229 nan 8.150 nan 0.000 0.532 104 L N -0.933 120.232 121.223 -0.097 0.000 2.664 104 L HA 0.246 4.578 4.340 -0.013 0.000 0.233 104 L C 1.864 178.697 176.870 -0.062 0.000 1.113 104 L CA 1.523 56.300 54.840 -0.105 0.000 0.896 104 L CB -0.238 41.731 42.059 -0.150 0.000 1.163 104 L HN 0.630 nan 8.230 nan 0.000 0.497 105 E N -0.116 120.058 120.200 -0.044 0.000 2.058 105 E HA -0.239 4.103 4.350 -0.013 0.000 0.194 105 E C 1.611 178.198 176.600 -0.021 0.000 0.997 105 E CA 1.415 57.800 56.400 -0.025 0.000 0.801 105 E CB 0.247 29.934 29.700 -0.021 0.000 0.746 105 E HN 0.392 nan 8.360 nan 0.000 0.450 106 N N 0.005 118.689 118.700 -0.027 0.000 2.188 106 N HA -0.106 4.627 4.740 -0.013 0.000 0.184 106 N C 1.551 177.046 175.510 -0.025 0.000 1.018 106 N CA 1.206 54.240 53.050 -0.027 0.000 0.858 106 N CB -0.350 38.119 38.487 -0.029 0.000 0.989 106 N HN 0.233 nan 8.380 nan 0.000 0.426 107 A N 0.386 123.189 122.820 -0.027 0.000 1.877 107 A HA -0.146 4.166 4.320 -0.013 0.000 0.216 107 A C 2.663 180.242 177.584 -0.009 0.000 1.186 107 A CA 1.363 53.388 52.037 -0.021 0.000 0.620 107 A CB -1.030 17.949 19.000 -0.035 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 C N -0.796 118.499 119.300 -0.008 0.000 2.440 108 C HA -0.072 4.380 4.460 -0.013 0.000 0.278 108 C C 2.476 177.471 174.990 0.010 0.000 1.295 108 C CA 1.138 60.164 59.018 0.013 0.000 1.738 108 C CB -1.120 26.639 27.740 0.031 0.000 1.987 108 C HN 0.703 nan 8.230 nan 0.000 0.492 109 D N 0.702 121.105 120.400 0.005 0.000 2.097 109 D HA -0.140 4.492 4.640 -0.013 0.000 0.195 109 D C 2.129 178.442 176.300 0.023 0.000 0.989 109 D CA 1.509 55.513 54.000 0.007 0.000 0.827 109 D CB -0.262 40.529 40.800 -0.014 0.000 0.966 109 D HN 0.447 nan 8.370 nan 0.000 0.456 110 E N 0.293 120.500 120.200 0.011 0.000 2.051 110 E HA -0.062 4.280 4.350 -0.013 0.000 0.192 110 E C 1.904 178.542 176.600 0.064 0.000 0.991 110 E CA 1.636 58.062 56.400 0.043 0.000 0.799 110 E CB -0.640 29.068 29.700 0.014 0.000 0.748 110 E HN 0.216 nan 8.360 nan 0.000 0.449 111 A N -0.105 122.722 122.820 0.012 0.000 1.883 111 A HA -0.240 4.073 4.320 -0.013 0.000 0.217 111 A C 2.503 180.022 177.584 -0.109 0.000 1.186 111 A CA 3.054 55.073 52.037 -0.030 0.000 0.624 111 A CB -1.504 17.483 19.000 -0.021 0.000 0.822 111 A HN 0.530 nan 8.150 nan 0.000 0.444 112 T N -3.797 110.688 114.554 -0.115 0.000 2.857 112 T HA -0.201 4.142 4.350 -0.013 0.000 0.266 112 T C 1.854 176.479 174.700 -0.125 0.000 1.048 112 T CA 1.482 63.456 62.100 -0.210 0.000 1.139 112 T CB -0.617 68.165 68.868 -0.144 0.000 0.874 112 T HN 0.457 nan 8.240 nan 0.000 0.455 113 Y N 2.301 122.524 120.300 -0.128 0.000 2.128 113 Y HA -0.163 4.380 4.550 -0.012 0.000 0.284 113 Y C 2.655 178.495 175.900 -0.100 0.000 1.154 113 Y CA 1.749 59.792 58.100 -0.095 0.000 1.149 113 Y CB -0.555 37.868 38.460 -0.062 0.000 0.976 113 Y HN 0.261 nan 8.280 nan 0.000 0.505 114 Q N -0.958 118.776 119.800 -0.110 0.000 2.224 114 Q HA -0.135 4.197 4.340 -0.013 0.000 0.203 114 Q C 1.641 177.513 176.000 -0.213 0.000 0.970 114 Q CA 1.011 56.708 55.803 -0.177 0.000 0.865 114 Q CB -0.110 28.598 28.738 -0.049 0.000 0.922 114 Q HN 0.356 nan 8.270 nan 0.000 0.445 115 L N -0.784 120.298 121.223 -0.235 0.000 2.610 115 L HA 0.102 4.434 4.340 -0.013 0.000 0.232 115 L C 1.151 177.855 176.870 -0.277 0.000 1.149 115 L CA 1.338 56.019 54.840 -0.266 0.000 0.872 115 L CB -0.510 41.303 42.059 -0.410 0.000 0.992 115 L HN 0.344 nan 8.230 nan 0.000 0.447 116 G N -0.410 108.214 108.800 -0.293 0.000 2.149 116 G HA2 -0.238 3.714 3.960 -0.013 0.000 0.235 116 G HA3 -0.238 3.714 3.960 -0.013 0.000 0.235 116 G C 0.049 174.814 174.900 -0.226 0.000 1.018 116 G CA 0.247 45.187 45.100 -0.267 0.000 0.728 116 G HN 0.285 nan 8.290 nan 0.000 0.508 117 L N -0.379 120.711 121.223 -0.221 0.000 2.341 117 L HA 0.664 4.996 4.340 -0.013 0.000 0.267 117 L C -0.651 176.192 176.870 -0.046 0.000 1.009 117 L CA -1.205 53.536 54.840 -0.164 0.000 0.819 117 L CB 1.948 43.849 42.059 -0.264 0.000 1.323 117 L HN 0.082 nan 8.230 nan 0.000 0.425 118 D N 1.612 122.014 120.400 0.003 0.000 2.373 118 D HA 0.226 4.858 4.640 -0.013 0.000 0.227 118 D C 0.563 176.895 176.300 0.054 0.000 1.091 118 D CA -0.300 53.729 54.000 0.048 0.000 0.840 118 D CB 1.615 42.449 40.800 0.056 0.000 1.060 118 D HN 0.502 nan 8.370 nan 0.000 0.502 119 M N 3.030 122.663 119.600 0.055 0.000 2.159 119 M HA -0.125 4.347 4.480 -0.013 0.000 0.263 119 M C 1.316 177.659 176.300 0.072 0.000 1.063 119 M CA 1.498 56.838 55.300 0.068 0.000 1.110 119 M CB 0.206 32.839 32.600 0.056 0.000 1.374 119 M HN 0.442 nan 8.290 nan 0.000 0.411 120 E N -0.184 120.049 120.200 0.055 0.000 2.110 120 E HA -0.260 4.082 4.350 -0.013 0.000 0.193 120 E C 1.859 178.491 176.600 0.053 0.000 0.988 120 E CA 1.406 57.835 56.400 0.047 0.000 0.804 120 E CB -0.204 29.521 29.700 0.041 0.000 0.745 120 E HN 0.636 nan 8.360 nan 0.000 0.458 121 E N 0.543 120.780 120.200 0.061 0.000 2.077 121 E HA -0.201 4.141 4.350 -0.013 0.000 0.193 121 E C 1.992 178.630 176.600 0.065 0.000 0.989 121 E CA 0.662 57.099 56.400 0.062 0.000 0.800 121 E CB 0.150 29.890 29.700 0.067 0.000 0.746 121 E HN 0.079 nan 8.360 nan 0.000 0.452 122 L N 1.466 122.749 121.223 0.100 0.000 2.083 122 L HA -0.145 4.187 4.340 -0.013 0.000 0.209 122 L C 2.111 179.035 176.870 0.090 0.000 1.083 122 L CA 1.621 56.550 54.840 0.149 0.000 0.752 122 L CB -0.679 41.522 42.059 0.236 0.000 0.899 122 L HN 0.145 nan 8.230 nan 0.000 0.433 123 E N -0.724 119.520 120.200 0.073 0.000 2.153 123 E HA -0.197 4.145 4.350 -0.013 0.000 0.194 123 E C 1.854 178.408 176.600 -0.077 0.000 0.988 123 E CA 0.811 57.225 56.400 0.023 0.000 0.811 123 E CB 0.018 29.738 29.700 0.035 0.000 0.746 123 E HN 0.406 nan 8.360 nan 0.000 0.466 124 E N 0.236 120.406 120.200 -0.049 0.000 2.338 124 E HA -0.116 4.226 4.350 -0.013 0.000 0.197 124 E C 1.844 178.373 176.600 -0.118 0.000 1.007 124 E CA 0.565 56.936 56.400 -0.047 0.000 0.849 124 E CB 0.047 29.757 29.700 0.018 0.000 0.774 124 E HN 0.408 nan 8.360 nan 0.000 0.506 125 I N 0.785 121.215 120.570 -0.234 0.000 2.617 125 I HA -0.100 4.063 4.170 -0.013 0.000 0.256 125 I C 1.365 177.158 176.117 -0.539 0.000 1.167 125 I CA 0.223 61.314 61.300 -0.348 0.000 1.469 125 I CB 0.104 37.897 38.000 -0.344 0.000 1.098 125 I HN -0.038 nan 8.210 nan 0.000 0.436 126 E N 2.750 122.516 120.200 -0.723 0.000 2.376 126 E HA -0.031 4.311 4.350 -0.013 0.000 0.266 126 E C -0.244 176.270 176.600 -0.143 0.000 1.009 126 E CA -0.244 55.820 56.400 -0.561 0.000 0.902 126 E CB 0.614 30.101 29.700 -0.354 0.000 0.972 126 E HN 0.093 nan 8.360 nan 0.000 0.439 127 E N 3.501 123.714 120.200 0.023 0.000 2.354 127 E HA 0.054 4.396 4.350 -0.013 0.000 0.269 127 E C -0.788 175.921 176.600 0.182 0.000 1.036 127 E CA -0.189 56.306 56.400 0.158 0.000 0.876 127 E CB 0.680 30.566 29.700 0.309 0.000 1.009 127 E HN 0.484 nan 8.360 nan 0.000 0.416 128 D N 0.875 121.349 120.400 0.122 0.000 2.455 128 D HA 0.131 4.763 4.640 -0.013 0.000 0.241 128 D C -0.269 176.059 176.300 0.046 0.000 1.138 128 D CA 0.215 54.256 54.000 0.068 0.000 0.877 128 D CB 0.555 41.374 40.800 0.031 0.000 1.187 128 D HN 0.381 nan 8.370 nan 0.000 0.451 129 A N 2.558 125.347 122.820 -0.052 0.000 2.671 129 A HA 0.458 4.770 4.320 -0.013 0.000 0.306 129 A C 1.039 178.459 177.584 -0.274 0.000 1.473 129 A CA -0.360 51.419 52.037 -0.431 0.000 1.155 129 A CB -0.282 18.537 19.000 -0.301 0.000 1.123 129 A HN 0.545 nan 8.150 nan 0.000 0.545 130 G N 2.210 110.807 108.800 -0.338 0.000 3.943 130 G HA2 0.422 4.374 3.960 -0.013 0.000 0.275 130 G HA3 0.422 4.374 3.960 -0.013 0.000 0.275 130 G C 0.291 175.003 174.900 -0.313 0.000 1.234 130 G CA -0.319 44.697 45.100 -0.140 0.000 1.522 130 G HN 0.694 nan 8.290 nan 0.000 0.636 131 L N 1.358 122.445 121.223 -0.226 0.000 2.862 131 L HA 0.387 4.719 4.340 -0.013 0.000 0.240 131 L C 0.973 177.787 176.870 -0.093 0.000 1.283 131 L CA -0.201 54.595 54.840 -0.073 0.000 1.117 131 L CB -0.366 41.770 42.059 0.129 0.000 1.444 131 L HN 0.323 nan 8.230 nan 0.000 0.456 132 G N -1.241 107.279 108.800 -0.467 0.000 2.646 132 G HA2 0.189 4.142 3.960 -0.013 0.000 0.291 132 G HA3 0.189 4.142 3.960 -0.013 0.000 0.291 132 G C -0.123 174.288 174.900 -0.815 0.000 1.445 132 G CA -0.462 44.316 45.100 -0.537 0.000 0.814 132 G HN -0.106 nan 8.290 nan 0.000 0.495 133 N N -0.673 117.788 118.700 -0.399 0.000 2.305 133 N HA 0.176 4.908 4.740 -0.013 0.000 0.179 133 N C 1.254 176.725 175.510 -0.065 0.000 1.019 133 N CA 1.515 54.428 53.050 -0.229 0.000 0.869 133 N CB 0.825 39.296 38.487 -0.027 0.000 1.000 133 N HN 0.834 nan 8.380 nan 0.000 0.431 134 G N -0.893 107.962 108.800 0.091 0.000 2.947 134 G HA2 0.201 4.153 3.960 -0.013 0.000 0.115 134 G HA3 0.201 4.153 3.960 -0.013 0.000 0.115 134 G C 0.735 175.773 174.900 0.229 0.000 1.214 134 G CA 0.275 45.545 45.100 0.283 0.000 1.324 134 G HN 0.201 nan 8.290 nan 0.000 0.645 135 G N 0.413 109.285 108.800 0.119 0.000 2.418 135 G HA2 -0.010 3.942 3.960 -0.013 0.000 0.217 135 G HA3 -0.010 3.942 3.960 -0.013 0.000 0.217 135 G C 1.885 176.779 174.900 -0.010 0.000 1.158 135 G CA 1.440 46.568 45.100 0.048 0.000 0.771 135 G HN 0.777 nan 8.290 nan 0.000 0.545 136 L N 0.632 121.814 121.223 -0.067 0.000 2.046 136 L HA 0.101 4.433 4.340 -0.013 0.000 0.208 136 L C 2.769 179.567 176.870 -0.119 0.000 1.077 136 L CA 2.000 56.705 54.840 -0.225 0.000 0.747 136 L CB -0.528 41.322 42.059 -0.349 0.000 0.896 136 L HN 0.218 nan 8.230 nan 0.000 0.432 137 G N -0.679 108.112 108.800 -0.015 0.000 2.403 137 G HA2 -0.284 3.668 3.960 -0.013 0.000 0.216 137 G HA3 -0.284 3.668 3.960 -0.013 0.000 0.216 137 G C 1.641 176.620 174.900 0.131 0.000 1.154 137 G CA 0.644 45.765 45.100 0.035 0.000 0.784 137 G HN 0.304 nan 8.290 nan 0.000 0.538 138 R N -0.047 120.557 120.500 0.173 0.000 2.115 138 R HA 0.156 4.488 4.340 -0.013 0.000 0.226 138 R C 2.274 178.580 176.300 0.009 0.000 1.100 138 R CA 0.687 56.859 56.100 0.121 0.000 0.980 138 R CB -0.835 29.503 30.300 0.063 0.000 0.875 138 R HN 0.318 nan 8.270 nan 0.000 0.445 139 L N 0.198 121.357 121.223 -0.107 0.000 2.046 139 L HA -0.007 4.325 4.340 -0.013 0.000 0.208 139 L C 2.082 178.651 176.870 -0.502 0.000 1.077 139 L CA 2.171 56.796 54.840 -0.360 0.000 0.747 139 L CB -0.852 40.965 42.059 -0.404 0.000 0.896 139 L HN 0.257 nan 8.230 nan 0.000 0.432 140 A N -0.666 122.008 122.820 -0.243 0.000 1.908 140 A HA -0.155 4.157 4.320 -0.013 0.000 0.218 140 A C 2.434 180.071 177.584 0.088 0.000 1.181 140 A CA 1.897 53.860 52.037 -0.123 0.000 0.627 140 A CB -1.130 17.789 19.000 -0.135 0.000 0.818 140 A HN 0.566 nan 8.150 nan 0.000 0.445 141 A N -1.090 121.817 122.820 0.144 0.000 1.873 141 A HA -0.148 4.164 4.320 -0.013 0.000 0.215 141 A C 2.314 179.970 177.584 0.120 0.000 1.186 141 A CA 1.606 53.751 52.037 0.180 0.000 0.616 141 A CB -1.284 17.812 19.000 0.159 0.000 0.823 141 A HN 0.592 nan 8.150 nan 0.000 0.442 142 C N -1.445 117.925 119.300 0.116 0.000 2.429 142 C HA -0.084 4.368 4.460 -0.013 0.000 0.277 142 C C 2.433 177.582 174.990 0.265 0.000 1.262 142 C CA 0.695 59.820 59.018 0.179 0.000 1.733 142 C CB -1.624 26.238 27.740 0.204 0.000 2.010 142 C HN 0.604 nan 8.230 nan 0.000 0.483 143 F N 1.091 121.026 119.950 -0.026 0.000 2.134 143 F HA -0.068 4.451 4.527 -0.013 0.000 0.299 143 F C 2.236 177.977 175.800 -0.099 0.000 1.097 143 F CA 1.013 58.947 58.000 -0.111 0.000 1.264 143 F CB -1.350 37.450 39.000 -0.334 0.000 1.001 143 F HN 0.197 nan 8.300 nan 0.000 0.479 144 L N -0.385 120.911 121.223 0.121 0.000 2.042 144 L HA -0.261 4.071 4.340 -0.013 0.000 0.210 144 L C 2.169 179.047 176.870 0.013 0.000 1.076 144 L CA 1.991 56.856 54.840 0.041 0.000 0.749 144 L CB -0.772 41.310 42.059 0.039 0.000 0.893 144 L HN 0.097 nan 8.230 nan 0.000 0.432 145 D N -0.580 119.838 120.400 0.030 0.000 2.117 145 D HA -0.173 4.459 4.640 -0.013 0.000 0.197 145 D C 2.196 178.510 176.300 0.024 0.000 0.987 145 D CA 1.468 55.472 54.000 0.007 0.000 0.829 145 D CB 0.210 41.012 40.800 0.003 0.000 0.961 145 D HN 0.093 nan 8.370 nan 0.000 0.460 146 S N -0.759 114.972 115.700 0.052 0.000 2.383 146 S HA -0.081 4.381 4.470 -0.013 0.000 0.227 146 S C 1.982 176.595 174.600 0.021 0.000 1.026 146 S CA 0.786 59.010 58.200 0.040 0.000 0.981 146 S CB -0.196 63.036 63.200 0.052 0.000 0.818 146 S HN 0.340 nan 8.310 nan 0.000 0.472 147 M N 1.053 120.657 119.600 0.007 0.000 2.159 147 M HA -0.097 4.375 4.480 -0.013 0.000 0.263 147 M C 2.451 178.750 176.300 -0.003 0.000 1.063 147 M CA 1.411 56.711 55.300 -0.001 0.000 1.110 147 M CB -0.527 32.052 32.600 -0.034 0.000 1.374 147 M HN 0.395 nan 8.290 nan 0.000 0.411 148 A N -0.140 122.675 122.820 -0.008 0.000 1.898 148 A HA -0.121 4.191 4.320 -0.013 0.000 0.216 148 A C 2.178 179.773 177.584 0.019 0.000 1.181 148 A CA 2.052 54.088 52.037 -0.002 0.000 0.620 148 A CB -1.093 17.889 19.000 -0.030 0.000 0.819 148 A HN 0.423 nan 8.150 nan 0.000 0.442 149 T N 0.405 114.975 114.554 0.028 0.000 2.833 149 T HA -0.019 4.323 4.350 -0.013 0.000 0.269 149 T C 1.321 176.049 174.700 0.047 0.000 1.054 149 T CA 1.194 63.325 62.100 0.051 0.000 1.135 149 T CB -0.275 68.632 68.868 0.066 0.000 0.869 149 T HN 0.344 nan 8.240 nan 0.000 0.466 150 L N 0.485 121.732 121.223 0.040 0.000 2.653 150 L HA 0.313 4.645 4.340 -0.013 0.000 0.231 150 L C 1.587 178.487 176.870 0.050 0.000 1.153 150 L CA -0.087 54.779 54.840 0.043 0.000 0.933 150 L CB -0.488 41.596 42.059 0.042 0.000 1.175 150 L HN 0.396 nan 8.230 nan 0.000 0.473 151 G N 1.283 110.115 108.800 0.054 0.000 2.273 151 G HA2 -0.281 3.671 3.960 -0.013 0.000 0.280 151 G HA3 -0.281 3.671 3.960 -0.013 0.000 0.280 151 G C 0.065 175.015 174.900 0.083 0.000 1.047 151 G CA 0.050 45.201 45.100 0.084 0.000 0.869 151 G HN 0.290 nan 8.290 nan 0.000 0.502 152 L N -0.218 121.021 121.223 0.027 0.000 2.334 152 L HA 0.618 4.950 4.340 -0.013 0.000 0.277 152 L C 1.212 177.954 176.870 -0.214 0.000 1.075 152 L CA -0.422 54.382 54.840 -0.059 0.000 0.804 152 L CB 1.650 43.686 42.059 -0.039 0.000 1.174 152 L HN 0.266 nan 8.230 nan 0.000 0.438 153 A N 3.058 125.606 122.820 -0.454 0.000 2.981 153 A HA 0.544 4.856 4.320 -0.013 0.000 0.280 153 A C 0.312 177.529 177.584 -0.611 0.000 1.743 153 A CA -0.121 51.349 52.037 -0.945 0.000 1.430 153 A CB -0.700 17.662 19.000 -1.064 0.000 1.085 153 A HN 0.697 nan 8.150 nan 0.000 0.597 154 A N 1.443 123.948 122.820 -0.525 0.000 2.355 154 A HA 0.800 5.112 4.320 -0.013 0.000 0.324 154 A C -1.039 176.260 177.584 -0.475 0.000 1.117 154 A CA -0.473 51.330 52.037 -0.391 0.000 0.785 154 A CB 0.829 19.677 19.000 -0.254 0.000 1.254 154 A HN 0.607 nan 8.150 nan 0.000 0.453 155 Y N 0.298 120.524 120.300 -0.123 0.000 2.406 155 Y HA 0.541 5.083 4.550 -0.013 0.000 0.340 155 Y C 0.833 176.803 175.900 0.117 0.000 0.975 155 Y CA -0.558 57.538 58.100 -0.007 0.000 1.056 155 Y CB 2.435 40.972 38.460 0.129 0.000 1.210 155 Y HN 0.838 nan 8.280 nan 0.000 0.448 156 G N 2.168 111.037 108.800 0.117 0.000 2.338 156 G HA2 0.448 4.400 3.960 -0.013 0.000 0.298 156 G HA3 0.448 4.400 3.960 -0.013 0.000 0.298 156 G C -1.746 173.159 174.900 0.007 0.000 1.140 156 G CA -0.239 44.967 45.100 0.176 0.000 0.860 156 G HN 0.520 nan 8.290 nan 0.000 0.470 157 Y N 1.042 121.583 120.300 0.402 0.000 2.350 157 Y HA 0.632 5.174 4.550 -0.013 0.000 0.338 157 Y C 0.756 176.981 175.900 0.541 0.000 0.961 157 Y CA 0.204 58.510 58.100 0.343 0.000 1.100 157 Y CB 2.662 41.343 38.460 0.369 0.000 1.179 157 Y HN 0.878 nan 8.280 nan 0.000 0.454 158 G N 2.318 111.459 108.800 0.569 0.000 2.753 158 G HA2 0.576 4.528 3.960 -0.013 0.000 0.303 158 G HA3 0.576 4.528 3.960 -0.013 0.000 0.303 158 G C -1.752 173.393 174.900 0.407 0.000 1.242 158 G CA -0.835 44.620 45.100 0.590 0.000 0.810 158 G HN 0.424 nan 8.290 nan 0.000 0.515 159 I N 0.634 121.333 120.570 0.216 0.000 2.441 159 I HA 0.426 4.589 4.170 -0.013 0.000 0.295 159 I C 0.318 176.340 176.117 -0.158 0.000 0.994 159 I CA -0.721 60.591 61.300 0.020 0.000 1.144 159 I CB 2.171 40.004 38.000 -0.278 0.000 1.314 159 I HN 0.345 nan 8.210 nan 0.000 0.445 160 R N 6.117 126.630 120.500 0.022 0.000 2.612 160 R HA 0.209 4.541 4.340 -0.013 0.000 0.273 160 R C -1.251 175.103 176.300 0.090 0.000 1.376 160 R CA -0.411 55.730 56.100 0.069 0.000 1.171 160 R CB -0.077 30.244 30.300 0.034 0.000 1.151 160 R HN 0.392 nan 8.270 nan 0.000 0.560 161 Y N 1.517 121.981 120.300 0.273 0.000 2.442 161 Y HA -0.069 4.473 4.550 -0.013 0.000 0.330 161 Y C 1.560 177.650 175.900 0.316 0.000 1.129 161 Y CA -0.006 58.247 58.100 0.255 0.000 1.365 161 Y CB 0.834 39.420 38.460 0.211 0.000 1.233 161 Y HN 0.585 nan 8.280 nan 0.000 0.529 162 E N 2.180 122.570 120.200 0.316 0.000 2.150 162 E HA -0.059 4.283 4.350 -0.013 0.000 0.193 162 E C -0.761 175.710 176.600 -0.215 0.000 0.985 162 E CA 0.721 57.103 56.400 -0.030 0.000 0.814 162 E CB 0.173 29.758 29.700 -0.191 0.000 0.752 162 E HN 0.508 nan 8.360 nan 0.000 0.466 163 F N -0.259 119.912 119.950 0.368 0.000 2.499 163 F HA 0.446 4.965 4.527 -0.013 0.000 0.333 163 F C 0.744 176.640 175.800 0.160 0.000 1.138 163 F CA -0.879 57.293 58.000 0.287 0.000 0.945 163 F CB 1.844 40.941 39.000 0.163 0.000 1.181 163 F HN -0.104 nan 8.300 nan 0.000 0.435 164 G N 1.818 110.736 108.800 0.197 0.000 2.531 164 G HA2 0.353 4.305 3.960 -0.013 0.000 0.253 164 G HA3 0.353 4.305 3.960 -0.013 0.000 0.253 164 G C -0.487 174.381 174.900 -0.054 0.000 1.439 164 G CA -0.710 44.351 45.100 -0.065 0.000 1.056 164 G HN 0.554 nan 8.290 nan 0.000 0.555 165 I N 0.861 121.321 120.570 -0.184 0.000 2.775 165 I HA 0.175 4.337 4.170 -0.013 0.000 0.290 165 I C 0.562 176.591 176.117 -0.145 0.000 1.203 165 I CA -1.034 60.126 61.300 -0.233 0.000 1.433 165 I CB -0.321 37.438 38.000 -0.403 0.000 1.354 165 I HN 0.329 nan 8.210 nan 0.000 0.579 166 F N 6.131 126.094 119.950 0.022 0.000 2.595 166 F HA 0.233 4.752 4.527 -0.013 0.000 0.359 166 F C 0.575 176.428 175.800 0.088 0.000 1.147 166 F CA -0.619 57.416 58.000 0.059 0.000 1.341 166 F CB -0.398 38.625 39.000 0.038 0.000 1.104 166 F HN 0.423 nan 8.300 nan 0.000 0.603 167 N N 2.440 121.313 118.700 0.288 0.000 2.497 167 N HA 0.027 4.759 4.740 -0.013 0.000 0.268 167 N C -0.731 175.008 175.510 0.382 0.000 1.171 167 N CA -0.194 53.004 53.050 0.246 0.000 0.948 167 N CB 1.052 39.669 38.487 0.217 0.000 1.069 167 N HN 0.761 nan 8.380 nan 0.000 0.460 168 Q N 2.572 122.570 119.800 0.331 0.000 2.303 168 Q HA 0.172 4.504 4.340 -0.013 0.000 0.257 168 Q C -0.965 175.204 176.000 0.283 0.000 0.941 168 Q CA -0.488 55.544 55.803 0.383 0.000 0.931 168 Q CB 0.685 29.659 28.738 0.392 0.000 1.215 168 Q HN 0.239 nan 8.270 nan 0.000 0.437 169 K N 4.157 124.701 120.400 0.240 0.000 2.203 169 K HA 0.473 4.785 4.320 -0.013 0.000 0.251 169 K C -0.564 176.142 176.600 0.177 0.000 0.944 169 K CA -0.893 55.513 56.287 0.199 0.000 0.829 169 K CB 1.569 34.164 32.500 0.158 0.000 1.125 169 K HN 0.626 nan 8.250 nan 0.000 0.430 170 I N 1.959 122.628 120.570 0.165 0.000 2.328 170 I HA 0.147 4.309 4.170 -0.013 0.000 0.287 170 I C -0.140 176.041 176.117 0.106 0.000 1.012 170 I CA -0.712 60.657 61.300 0.115 0.000 1.195 170 I CB 0.894 38.947 38.000 0.088 0.000 1.350 170 I HN 0.473 nan 8.210 nan 0.000 0.464 171 C N 5.356 124.728 119.300 0.120 0.000 2.316 171 C HA 0.637 5.090 4.460 -0.013 0.000 0.324 171 C C 1.214 176.308 174.990 0.173 0.000 1.226 171 C CA 0.306 59.399 59.018 0.124 0.000 1.450 171 C CB -0.253 27.553 27.740 0.112 0.000 2.123 171 C HN 1.104 nan 8.230 nan 0.000 0.454 172 G N 4.090 112.963 108.800 0.121 0.000 2.225 172 G HA2 0.086 4.038 3.960 -0.013 0.000 0.267 172 G HA3 0.086 4.038 3.960 -0.013 0.000 0.267 172 G C 1.200 176.108 174.900 0.014 0.000 1.024 172 G CA 1.146 46.322 45.100 0.125 0.000 0.784 172 G HN 2.568 nan 8.290 nan 0.000 0.507 173 G N -2.845 105.911 108.800 -0.075 0.000 2.199 173 G HA2 -0.286 3.666 3.960 -0.013 0.000 0.254 173 G HA3 -0.286 3.666 3.960 -0.013 0.000 0.254 173 G C 0.375 175.039 174.900 -0.393 0.000 0.982 173 G CA 0.564 45.494 45.100 -0.283 0.000 0.632 173 G HN 1.181 nan 8.290 nan 0.000 0.529 174 W N 1.150 122.402 121.300 -0.081 0.000 2.512 174 W HA 0.657 5.309 4.660 -0.013 0.000 0.335 174 W C 0.681 177.152 176.519 -0.080 0.000 1.088 174 W CA -0.851 56.441 57.345 -0.089 0.000 1.236 174 W CB 0.827 30.252 29.460 -0.058 0.000 1.307 174 W HN 0.254 nan 8.180 nan 0.000 0.567 175 Q N 3.339 123.238 119.800 0.165 0.000 2.289 175 Q HA 0.171 4.503 4.340 -0.013 0.000 0.273 175 Q C -0.543 175.520 176.000 0.106 0.000 1.029 175 Q CA 0.219 56.093 55.803 0.118 0.000 0.896 175 Q CB 0.500 29.301 28.738 0.105 0.000 1.182 175 Q HN 0.314 nan 8.270 nan 0.000 0.385 176 M N 3.219 122.877 119.600 0.097 0.000 2.456 176 M HA 0.384 4.856 4.480 -0.013 0.000 0.324 176 M C -1.026 175.293 176.300 0.031 0.000 1.124 176 M CA -0.666 54.659 55.300 0.041 0.000 0.959 176 M CB 1.756 34.391 32.600 0.058 0.000 1.692 176 M HN 0.599 nan 8.290 nan 0.000 0.444 177 E N 1.673 121.825 120.200 -0.081 0.000 2.166 177 E HA 0.452 4.794 4.350 -0.013 0.000 0.275 177 E C -0.754 175.846 176.600 -0.001 0.000 0.941 177 E CA -0.563 55.760 56.400 -0.127 0.000 0.784 177 E CB 1.573 30.947 29.700 -0.544 0.000 1.115 177 E HN 0.521 nan 8.360 nan 0.000 0.399 178 E N 0.960 121.235 120.200 0.125 0.000 2.343 178 E HA 0.732 5.074 4.350 -0.013 0.000 0.270 178 E C -1.033 175.660 176.600 0.154 0.000 0.895 178 E CA -1.544 54.919 56.400 0.105 0.000 0.767 178 E CB 1.424 31.189 29.700 0.108 0.000 1.248 178 E HN 0.440 nan 8.360 nan 0.000 0.440 179 A N 1.968 124.840 122.820 0.088 0.000 2.546 179 A HA 0.047 4.359 4.320 -0.013 0.000 0.243 179 A C -0.107 177.653 177.584 0.293 0.000 1.063 179 A CA 0.269 52.373 52.037 0.113 0.000 0.757 179 A CB -0.094 18.852 19.000 -0.089 0.000 0.991 179 A HN 0.695 nan 8.150 nan 0.000 0.503 180 D N 1.834 122.473 120.400 0.398 0.000 2.522 180 D HA 0.178 4.810 4.640 -0.013 0.000 0.218 180 D C -0.439 176.180 176.300 0.530 0.000 1.149 180 D CA -0.193 54.044 54.000 0.394 0.000 0.981 180 D CB 0.314 41.281 40.800 0.277 0.000 1.041 180 D HN 0.371 nan 8.370 nan 0.000 0.518 181 D N 3.717 124.388 120.400 0.452 0.000 2.801 181 D HA -0.026 4.606 4.640 -0.013 0.000 0.232 181 D C 1.115 177.526 176.300 0.185 0.000 1.128 181 D CA -0.529 53.634 54.000 0.272 0.000 1.003 181 D CB -0.199 40.766 40.800 0.275 0.000 1.110 181 D HN 0.572 nan 8.370 nan 0.000 0.477 182 W N 1.758 123.079 121.300 0.034 0.000 2.525 182 W HA -0.027 4.625 4.660 -0.013 0.000 0.259 182 W C 0.054 176.619 176.519 0.078 0.000 1.253 182 W CA 0.083 57.476 57.345 0.081 0.000 1.262 182 W CB -0.676 28.837 29.460 0.089 0.000 1.122 182 W HN 0.170 nan 8.180 nan 0.000 0.607 183 L N 0.907 121.755 121.223 -0.625 0.000 2.667 183 L HA 0.213 4.545 4.340 -0.013 0.000 0.232 183 L C 2.685 179.376 176.870 -0.297 0.000 1.138 183 L CA -0.120 54.331 54.840 -0.649 0.000 0.921 183 L CB -0.573 40.976 42.059 -0.850 0.000 1.180 183 L HN -0.122 nan 8.230 nan 0.000 0.487 184 R N 0.561 120.941 120.500 -0.200 0.000 2.112 184 R HA -0.233 4.099 4.340 -0.013 0.000 0.242 184 R C 1.481 177.605 176.300 -0.294 0.000 1.137 184 R CA 2.180 58.123 56.100 -0.262 0.000 0.944 184 R CB -0.199 29.904 30.300 -0.329 0.000 0.857 184 R HN 0.291 nan 8.270 nan 0.000 0.435 185 Y N -0.556 119.760 120.300 0.026 0.000 2.466 185 Y HA 0.312 4.854 4.550 -0.013 0.000 0.272 185 Y C 0.871 176.767 175.900 -0.006 0.000 1.169 185 Y CA 0.511 58.650 58.100 0.064 0.000 1.285 185 Y CB 0.785 39.405 38.460 0.266 0.000 1.078 185 Y HN 0.437 nan 8.280 nan 0.000 0.523 186 G N 1.153 109.994 108.800 0.069 0.000 2.662 186 G HA2 -0.201 3.751 3.960 -0.013 0.000 0.686 186 G HA3 -0.201 3.751 3.960 -0.013 0.000 0.686 186 G C -1.335 173.630 174.900 0.108 0.000 1.271 186 G CA -0.835 44.264 45.100 -0.002 0.000 0.816 186 G HN 0.227 nan 8.290 nan 0.000 0.608 187 N N 1.153 119.863 118.700 0.016 0.000 2.531 187 N HA 0.577 5.309 4.740 -0.013 0.000 0.268 187 N C -0.740 174.760 175.510 -0.017 0.000 1.023 187 N CA -1.998 51.083 53.050 0.051 0.000 0.896 187 N CB 2.122 40.575 38.487 -0.056 0.000 1.233 187 N HN 0.229 nan 8.380 nan 0.000 0.512 188 P HA 0.014 nan 4.420 nan 0.000 0.226 188 P C 0.622 177.583 177.300 -0.566 0.000 1.153 188 P CA 0.796 63.550 63.100 -0.576 0.000 0.777 188 P CB 0.121 31.185 31.700 -1.060 0.000 0.794 189 W N 1.827 123.130 121.300 0.005 0.000 2.576 189 W HA 0.060 4.712 4.660 -0.013 0.000 0.270 189 W C 1.245 177.798 176.519 0.056 0.000 1.255 189 W CA -0.338 57.006 57.345 -0.002 0.000 1.314 189 W CB -0.317 29.145 29.460 0.004 0.000 1.101 189 W HN -0.008 nan 8.180 nan 0.000 0.595 190 E N 1.841 122.212 120.200 0.284 0.000 2.343 190 E HA 0.300 4.642 4.350 -0.013 0.000 0.269 190 E C -0.634 176.133 176.600 0.279 0.000 1.047 190 E CA -0.686 55.894 56.400 0.299 0.000 0.874 190 E CB 1.321 31.206 29.700 0.309 0.000 1.033 190 E HN -0.315 nan 8.360 nan 0.000 0.409 191 K N 1.939 122.520 120.400 0.302 0.000 2.450 191 K HA 0.414 4.726 4.320 -0.013 0.000 0.257 191 K C -1.142 175.489 176.600 0.052 0.000 0.953 191 K CA -0.513 55.885 56.287 0.185 0.000 0.844 191 K CB 1.560 34.166 32.500 0.177 0.000 1.103 191 K HN 0.661 nan 8.250 nan 0.000 0.429 192 A N 4.244 127.005 122.820 -0.098 0.000 2.511 192 A HA 0.314 4.626 4.320 -0.013 0.000 0.242 192 A C -0.241 177.188 177.584 -0.258 0.000 1.069 192 A CA -0.080 51.645 52.037 -0.520 0.000 0.763 192 A CB 0.208 18.871 19.000 -0.562 0.000 1.001 192 A HN 0.671 nan 8.150 nan 0.000 0.498 193 R N 3.215 123.570 120.500 -0.243 0.000 2.983 193 R HA 0.203 4.536 4.340 -0.013 0.000 0.300 193 R C -2.345 173.969 176.300 0.022 0.000 1.367 193 R CA -1.705 54.395 56.100 -0.001 0.000 1.564 193 R CB 0.605 31.010 30.300 0.175 0.000 1.314 193 R HN 0.567 nan 8.270 nan 0.000 0.622 194 P HA -0.168 nan 4.420 nan 0.000 0.223 194 P C 0.864 178.148 177.300 -0.027 0.000 1.144 194 P CA 1.049 64.132 63.100 -0.028 0.000 0.783 194 P CB 0.383 32.056 31.700 -0.045 0.000 0.771 195 E N -0.360 119.775 120.200 -0.108 0.000 2.358 195 E HA -0.109 4.233 4.350 -0.013 0.000 0.195 195 E C 0.667 177.059 176.600 -0.346 0.000 1.010 195 E CA 0.713 56.954 56.400 -0.265 0.000 0.856 195 E CB -0.822 28.624 29.700 -0.424 0.000 0.795 195 E HN 0.278 nan 8.360 nan 0.000 0.504 196 F N 2.057 122.025 119.950 0.029 0.000 2.730 196 F HA 0.240 4.759 4.527 -0.013 0.000 0.295 196 F C 0.378 176.275 175.800 0.160 0.000 1.143 196 F CA -0.256 57.793 58.000 0.081 0.000 1.367 196 F CB 0.365 39.407 39.000 0.071 0.000 0.970 196 F HN -0.290 nan 8.300 nan 0.000 0.514 197 T N 2.737 117.431 114.554 0.233 0.000 2.888 197 T HA 0.315 4.657 4.350 -0.013 0.000 0.301 197 T C -0.241 174.562 174.700 0.171 0.000 1.001 197 T CA 0.217 62.455 62.100 0.230 0.000 1.147 197 T CB 0.680 69.638 68.868 0.149 0.000 0.931 197 T HN -0.165 nan 8.240 nan 0.000 0.541 198 L N 6.152 127.456 121.223 0.135 0.000 2.362 198 L HA 0.552 4.884 4.340 -0.013 0.000 0.271 198 L C -2.190 174.651 176.870 -0.048 0.000 1.002 198 L CA -2.560 52.286 54.840 0.011 0.000 0.818 198 L CB 1.822 43.818 42.059 -0.103 0.000 1.298 198 L HN 0.381 nan 8.230 nan 0.000 0.420 199 P HA 0.344 nan 4.420 nan 0.000 0.284 199 P C -1.141 176.069 177.300 -0.151 0.000 1.253 199 P CA -0.359 62.685 63.100 -0.093 0.000 0.800 199 P CB 1.656 33.300 31.700 -0.095 0.000 0.961 200 V N 4.004 123.814 119.914 -0.174 0.000 2.604 200 V HA 0.328 4.440 4.120 -0.013 0.000 0.305 200 V C 0.205 176.116 176.094 -0.306 0.000 1.043 200 V CA -0.615 61.567 62.300 -0.197 0.000 0.888 200 V CB 1.402 33.134 31.823 -0.151 0.000 0.995 200 V HN 0.599 nan 8.190 nan 0.000 0.429 201 H N 3.866 122.777 119.070 -0.266 0.000 2.472 201 H HA 0.610 5.158 4.556 -0.013 0.000 0.338 201 H C -1.314 173.744 175.328 -0.450 0.000 1.133 201 H CA -0.153 55.675 56.048 -0.366 0.000 1.216 201 H CB 1.925 31.259 29.762 -0.713 0.000 1.497 201 H HN 0.477 nan 8.280 nan 0.000 0.500 202 F N 0.384 120.408 119.950 0.124 0.000 2.613 202 F HA 0.204 4.723 4.527 -0.013 0.000 0.314 202 F C -0.281 175.637 175.800 0.196 0.000 1.075 202 F CA -0.546 57.517 58.000 0.105 0.000 0.945 202 F CB 1.133 40.099 39.000 -0.056 0.000 1.310 202 F HN 0.572 nan 8.300 nan 0.000 0.467 203 Y N 0.200 120.800 120.300 0.500 0.000 2.904 203 Y HA -0.018 4.524 4.550 -0.013 0.000 0.466 203 Y C 1.357 177.510 175.900 0.423 0.000 1.202 203 Y CA 0.630 58.942 58.100 0.353 0.000 2.492 203 Y CB -1.930 36.665 38.460 0.225 0.000 1.237 203 Y HN 1.278 nan 8.280 nan 0.000 0.633 204 G N 0.690 109.767 108.800 0.462 0.000 2.593 204 G HA2 0.088 4.040 3.960 -0.013 0.000 0.237 204 G HA3 0.088 4.040 3.960 -0.013 0.000 0.237 204 G C -0.584 174.527 174.900 0.353 0.000 1.312 204 G CA 0.909 46.202 45.100 0.323 0.000 0.896 204 G HN 1.364 nan 8.290 nan 0.000 0.574 205 R N -2.493 118.212 120.500 0.341 0.000 2.734 205 R HA 0.698 5.030 4.340 -0.013 0.000 0.271 205 R C -1.358 175.089 176.300 0.245 0.000 1.021 205 R CA -1.025 55.222 56.100 0.245 0.000 0.893 205 R CB 1.412 31.803 30.300 0.151 0.000 1.244 205 R HN 0.843 nan 8.270 nan 0.000 0.464 206 V N 0.936 120.915 119.914 0.110 0.000 2.394 206 V HA 0.333 4.445 4.120 -0.013 0.000 0.282 206 V C -0.160 175.904 176.094 -0.051 0.000 1.031 206 V CA -0.439 61.860 62.300 -0.003 0.000 0.881 206 V CB 1.251 33.004 31.823 -0.117 0.000 0.982 206 V HN 0.737 nan 8.190 nan 0.000 0.451 207 E N 3.279 123.422 120.200 -0.096 0.000 2.158 207 E HA 0.380 4.722 4.350 -0.013 0.000 0.271 207 E C -1.007 175.484 176.600 -0.181 0.000 0.911 207 E CA -0.705 55.657 56.400 -0.063 0.000 0.767 207 E CB 0.859 30.559 29.700 -0.001 0.000 1.120 207 E HN 0.722 nan 8.360 nan 0.000 0.405 208 H N 2.753 121.840 119.070 0.028 0.000 2.552 208 H HA 0.208 4.756 4.556 -0.013 0.000 0.311 208 H C 0.145 175.483 175.328 0.017 0.000 1.071 208 H CA -0.234 55.825 56.048 0.018 0.000 1.307 208 H CB 1.404 31.172 29.762 0.010 0.000 1.416 208 H HN 0.567 nan 8.280 nan 0.000 0.464 209 T N -0.681 113.934 114.554 0.102 0.000 2.919 209 T HA 0.193 4.536 4.350 -0.013 0.000 0.282 209 T C 1.410 176.149 174.700 0.065 0.000 1.020 209 T CA -0.781 61.359 62.100 0.066 0.000 0.994 209 T CB 1.257 70.147 68.868 0.037 0.000 1.180 209 T HN 0.366 nan 8.240 nan 0.000 0.566 210 S N -0.063 115.663 115.700 0.044 0.000 2.383 210 S HA -0.090 4.373 4.470 -0.013 0.000 0.229 210 S C 1.072 175.693 174.600 0.035 0.000 1.030 210 S CA 1.236 59.456 58.200 0.035 0.000 1.002 210 S CB -0.382 62.833 63.200 0.025 0.000 0.829 210 S HN 0.723 nan 8.310 nan 0.000 0.467 211 Q N 0.234 120.054 119.800 0.034 0.000 2.815 211 Q HA 0.531 4.863 4.340 -0.013 0.000 0.329 211 Q C 0.102 176.122 176.000 0.034 0.000 1.037 211 Q CA 0.216 56.038 55.803 0.032 0.000 1.002 211 Q CB 0.464 29.217 28.738 0.024 0.000 1.274 211 Q HN 0.439 nan 8.270 nan 0.000 0.452 212 G N 0.311 109.141 108.800 0.050 0.000 2.661 212 G HA2 0.122 4.074 3.960 -0.013 0.000 0.685 212 G HA3 0.122 4.074 3.960 -0.013 0.000 0.685 212 G C -0.803 174.122 174.900 0.042 0.000 1.298 212 G CA -0.651 44.481 45.100 0.053 0.000 0.855 212 G HN 0.657 nan 8.290 nan 0.000 0.560 213 A N 0.282 123.107 122.820 0.008 0.000 2.302 213 A HA 0.781 5.093 4.320 -0.013 0.000 0.285 213 A C 0.299 177.829 177.584 -0.091 0.000 1.105 213 A CA -0.011 51.947 52.037 -0.131 0.000 0.816 213 A CB 0.834 19.719 19.000 -0.192 0.000 1.067 213 A HN 0.711 nan 8.150 nan 0.000 0.489 214 K N 0.944 121.279 120.400 -0.109 0.000 2.507 214 K HA 0.167 4.479 4.320 -0.013 0.000 0.251 214 K C -1.950 174.687 176.600 0.062 0.000 0.943 214 K CA -0.187 56.090 56.287 -0.017 0.000 0.794 214 K CB 1.973 34.464 32.500 -0.014 0.000 1.188 214 K HN 0.763 nan 8.250 nan 0.000 0.428 215 W N 5.590 126.814 121.300 -0.126 0.000 2.311 215 W HA 0.355 5.007 4.660 -0.013 0.000 0.317 215 W C -0.495 175.978 176.519 -0.078 0.000 1.065 215 W CA -0.901 56.379 57.345 -0.109 0.000 1.364 215 W CB 0.098 29.480 29.460 -0.129 0.000 1.233 215 W HN 0.271 nan 8.180 nan 0.000 0.409 216 V N 2.791 122.759 119.914 0.089 0.000 3.113 216 V HA 0.609 4.721 4.120 -0.013 0.000 0.316 216 V C -0.182 175.894 176.094 -0.030 0.000 1.125 216 V CA -0.981 61.302 62.300 -0.029 0.000 1.026 216 V CB 1.955 33.789 31.823 0.018 0.000 1.080 216 V HN 0.450 nan 8.190 nan 0.000 0.444 217 D N 0.346 120.729 120.400 -0.029 0.000 2.723 217 D HA -0.136 4.496 4.640 -0.013 0.000 0.236 217 D C 0.514 176.820 176.300 0.010 0.000 1.138 217 D CA 1.534 55.537 54.000 0.004 0.000 0.676 217 D CB -1.571 39.253 40.800 0.039 0.000 1.069 217 D HN 1.317 nan 8.370 nan 0.000 0.430 218 T N -2.938 111.581 114.554 -0.057 0.000 2.899 218 T HA 0.515 4.857 4.350 -0.013 0.000 0.284 218 T C 0.431 175.170 174.700 0.064 0.000 1.004 218 T CA -0.797 61.281 62.100 -0.036 0.000 1.043 218 T CB 2.017 70.712 68.868 -0.288 0.000 1.013 218 T HN 0.041 nan 8.240 nan 0.000 0.518 219 Q N 0.662 120.569 119.800 0.178 0.000 2.243 219 Q HA 0.563 4.895 4.340 -0.013 0.000 0.252 219 Q C -0.952 175.142 176.000 0.157 0.000 0.909 219 Q CA -0.832 55.088 55.803 0.196 0.000 0.922 219 Q CB 1.786 30.720 28.738 0.326 0.000 1.215 219 Q HN 0.517 nan 8.270 nan 0.000 0.427 220 V N 3.312 123.274 119.914 0.080 0.000 2.398 220 V HA 0.378 4.490 4.120 -0.013 0.000 0.286 220 V C -0.393 175.783 176.094 0.138 0.000 1.026 220 V CA -0.626 61.645 62.300 -0.048 0.000 0.868 220 V CB 1.668 33.397 31.823 -0.158 0.000 0.982 220 V HN 0.490 nan 8.190 nan 0.000 0.443 221 V N 6.201 126.223 119.914 0.179 0.000 2.555 221 V HA 0.483 4.595 4.120 -0.013 0.000 0.302 221 V C -0.096 176.123 176.094 0.209 0.000 1.038 221 V CA -0.655 61.794 62.300 0.247 0.000 0.887 221 V CB 1.904 33.962 31.823 0.393 0.000 0.991 221 V HN 0.633 nan 8.190 nan 0.000 0.434 222 L N 3.639 124.979 121.223 0.194 0.000 2.350 222 L HA 0.713 5.045 4.340 -0.013 0.000 0.275 222 L C 0.472 177.544 176.870 0.337 0.000 1.099 222 L CA -0.295 54.657 54.840 0.187 0.000 0.808 222 L CB 1.236 43.380 42.059 0.142 0.000 1.149 222 L HN 0.752 nan 8.230 nan 0.000 0.442 223 A N 5.154 128.116 122.820 0.237 0.000 2.267 223 A HA 0.566 4.878 4.320 -0.013 0.000 0.315 223 A C -0.462 177.406 177.584 0.474 0.000 1.297 223 A CA -0.469 51.745 52.037 0.294 0.000 0.865 223 A CB 0.879 19.608 19.000 -0.451 0.000 1.165 223 A HN 0.787 nan 8.150 nan 0.000 0.513 224 M N 5.724 125.650 119.600 0.543 0.000 2.113 224 M HA 0.440 4.912 4.480 -0.013 0.000 0.352 224 M C -2.574 173.986 176.300 0.433 0.000 1.170 224 M CA -2.132 53.424 55.300 0.428 0.000 1.053 224 M CB 1.907 34.678 32.600 0.285 0.000 1.601 224 M HN 0.337 nan 8.290 nan 0.000 0.459 225 P HA 0.265 nan 4.420 nan 0.000 0.288 225 P C -1.923 175.303 177.300 -0.124 0.000 1.267 225 P CA -0.036 62.952 63.100 -0.187 0.000 0.815 225 P CB 0.510 31.893 31.700 -0.528 0.000 0.989 226 Y N 0.583 120.810 120.300 -0.122 0.000 2.331 226 Y HA 0.329 4.871 4.550 -0.013 0.000 0.334 226 Y C 0.251 176.121 175.900 -0.050 0.000 0.960 226 Y CA -0.312 57.772 58.100 -0.026 0.000 1.130 226 Y CB 1.254 39.737 38.460 0.037 0.000 1.164 226 Y HN 0.216 nan 8.280 nan 0.000 0.458 227 D N 1.977 122.462 120.400 0.141 0.000 2.198 227 D HA 0.378 5.010 4.640 -0.013 0.000 0.245 227 D C -0.567 175.945 176.300 0.354 0.000 1.079 227 D CA -0.185 53.932 54.000 0.197 0.000 0.854 227 D CB 1.705 42.623 40.800 0.195 0.000 1.148 227 D HN 0.379 nan 8.370 nan 0.000 0.456 228 T N 3.270 117.949 114.554 0.208 0.000 2.807 228 T HA 0.456 4.798 4.350 -0.013 0.000 0.279 228 T C -2.509 172.056 174.700 -0.224 0.000 0.993 228 T CA -1.493 60.640 62.100 0.055 0.000 0.970 228 T CB 2.002 70.888 68.868 0.030 0.000 0.950 228 T HN 0.163 nan 8.240 nan 0.000 0.441 229 P HA 0.287 nan 4.420 nan 0.000 0.275 229 P C -0.970 175.999 177.300 -0.552 0.000 1.227 229 P CA -0.360 62.073 63.100 -1.112 0.000 0.781 229 P CB 0.769 31.594 31.700 -1.459 0.000 0.906 230 V N 5.506 125.158 119.914 -0.437 0.000 2.305 230 V HA 0.255 4.368 4.120 -0.013 0.000 0.275 230 V C -2.078 173.880 176.094 -0.227 0.000 1.020 230 V CA -1.902 60.233 62.300 -0.275 0.000 0.811 230 V CB 1.331 33.041 31.823 -0.189 0.000 1.031 230 V HN 0.537 nan 8.190 nan 0.000 0.439 231 P HA 0.260 nan 4.420 nan 0.000 0.281 231 P C 0.405 177.650 177.300 -0.092 0.000 1.252 231 P CA 0.287 63.293 63.100 -0.157 0.000 0.778 231 P CB 1.500 33.104 31.700 -0.160 0.000 0.895 232 G N 2.347 111.112 108.800 -0.059 0.000 2.606 232 G HA2 0.087 4.039 3.960 -0.013 0.000 0.252 232 G HA3 0.087 4.039 3.960 -0.013 0.000 0.252 232 G C -1.073 173.836 174.900 0.014 0.000 1.206 232 G CA -0.545 44.549 45.100 -0.009 0.000 0.861 232 G HN 0.519 nan 8.290 nan 0.000 0.561 233 Y N 1.156 121.416 120.300 -0.067 0.000 2.674 233 Y HA 0.211 4.753 4.550 -0.013 0.000 0.354 233 Y C 1.348 177.209 175.900 -0.065 0.000 1.089 233 Y CA -0.126 57.931 58.100 -0.072 0.000 1.444 233 Y CB -0.164 38.252 38.460 -0.073 0.000 1.187 233 Y HN 0.736 nan 8.280 nan 0.000 0.523 234 R N 2.988 123.206 120.500 -0.469 0.000 3.627 234 R HA -0.323 4.009 4.340 -0.013 0.000 0.281 234 R C 0.059 176.220 176.300 -0.231 0.000 1.140 234 R CA 1.330 57.168 56.100 -0.436 0.000 0.761 234 R CB -2.133 27.743 30.300 -0.708 0.000 1.181 234 R HN 0.945 nan 8.270 nan 0.000 0.472 235 N N -0.727 117.888 118.700 -0.140 0.000 2.177 235 N HA 0.048 4.780 4.740 -0.013 0.000 0.218 235 N C -0.120 175.342 175.510 -0.081 0.000 1.182 235 N CA -0.505 52.494 53.050 -0.085 0.000 0.882 235 N CB 0.480 38.943 38.487 -0.041 0.000 1.052 235 N HN 0.085 nan 8.380 nan 0.000 0.519 236 N N -0.176 118.471 118.700 -0.089 0.000 2.753 236 N HA -0.137 4.595 4.740 -0.013 0.000 0.251 236 N C -0.948 174.518 175.510 -0.073 0.000 1.097 236 N CA 0.617 53.622 53.050 -0.075 0.000 0.786 236 N CB -1.338 37.105 38.487 -0.072 0.000 1.137 236 N HN 0.205 nan 8.380 nan 0.000 0.566 237 V N 1.122 120.996 119.914 -0.066 0.000 2.465 237 V HA 0.418 4.530 4.120 -0.013 0.000 0.279 237 V C 0.592 176.654 176.094 -0.053 0.000 1.045 237 V CA -0.497 61.771 62.300 -0.053 0.000 0.938 237 V CB 2.097 33.913 31.823 -0.011 0.000 0.986 237 V HN -0.032 nan 8.190 nan 0.000 0.467 238 V N 5.448 125.336 119.914 -0.043 0.000 2.419 238 V HA 0.443 4.556 4.120 -0.013 0.000 0.287 238 V C -0.086 176.003 176.094 -0.009 0.000 1.017 238 V CA -0.838 61.410 62.300 -0.087 0.000 0.844 238 V CB 1.466 33.206 31.823 -0.139 0.000 1.011 238 V HN 0.838 nan 8.190 nan 0.000 0.429 239 N N 1.986 120.652 118.700 -0.056 0.000 2.476 239 N HA 0.571 5.304 4.740 -0.013 0.000 0.287 239 N C -0.068 175.429 175.510 -0.022 0.000 1.262 239 N CA -0.308 52.729 53.050 -0.021 0.000 0.980 239 N CB 1.218 39.651 38.487 -0.091 0.000 1.163 239 N HN 0.585 nan 8.380 nan 0.000 0.592 240 T N 0.754 115.297 114.554 -0.019 0.000 2.824 240 T HA 0.391 4.733 4.350 -0.013 0.000 0.282 240 T C -0.249 174.414 174.700 -0.062 0.000 0.993 240 T CA -0.507 61.652 62.100 0.098 0.000 0.967 240 T CB 1.040 70.073 68.868 0.275 0.000 0.960 240 T HN 0.302 nan 8.240 nan 0.000 0.441 241 M N 3.879 123.410 119.600 -0.116 0.000 2.101 241 M HA 0.488 4.960 4.480 -0.013 0.000 0.340 241 M C -0.414 175.733 176.300 -0.254 0.000 1.057 241 M CA -0.736 54.406 55.300 -0.263 0.000 0.984 241 M CB 0.619 33.005 32.600 -0.356 0.000 1.560 241 M HN 0.481 nan 8.290 nan 0.000 0.435 242 R N 5.923 126.167 120.500 -0.427 0.000 2.229 242 R HA 0.616 4.948 4.340 -0.013 0.000 0.332 242 R C -1.915 174.099 176.300 -0.476 0.000 0.989 242 R CA -0.409 55.389 56.100 -0.503 0.000 0.842 242 R CB 0.814 30.639 30.300 -0.792 0.000 1.119 242 R HN 0.814 nan 8.270 nan 0.000 0.456 243 L N 5.156 126.197 121.223 -0.304 0.000 2.333 243 L HA 0.489 4.822 4.340 -0.013 0.000 0.280 243 L C -0.847 175.973 176.870 -0.084 0.000 1.004 243 L CA -0.920 53.841 54.840 -0.133 0.000 0.820 243 L CB 1.506 43.577 42.059 0.019 0.000 1.247 243 L HN 0.593 nan 8.230 nan 0.000 0.416 244 W N 1.985 123.411 121.300 0.210 0.000 2.315 244 W HA 0.458 5.110 4.660 -0.013 0.000 0.316 244 W C 0.608 177.366 176.519 0.398 0.000 1.211 244 W CA -0.132 57.363 57.345 0.249 0.000 1.201 244 W CB 1.426 30.895 29.460 0.015 0.000 1.184 244 W HN 0.353 nan 8.180 nan 0.000 0.544 245 S N 1.996 118.110 115.700 0.689 0.000 2.501 245 S HA 0.786 5.248 4.470 -0.013 0.000 0.301 245 S C -0.431 174.526 174.600 0.594 0.000 1.096 245 S CA -0.724 57.791 58.200 0.525 0.000 1.063 245 S CB 0.674 64.131 63.200 0.429 0.000 1.042 245 S HN 0.518 nan 8.310 nan 0.000 0.494 246 A N 4.730 127.731 122.820 0.303 0.000 2.328 246 A HA 0.649 4.962 4.320 -0.013 0.000 0.284 246 A C -0.173 177.489 177.584 0.129 0.000 1.160 246 A CA -0.365 51.748 52.037 0.127 0.000 0.818 246 A CB 0.379 19.176 19.000 -0.338 0.000 1.087 246 A HN 0.660 nan 8.150 nan 0.000 0.504 247 K N 1.374 121.870 120.400 0.159 0.000 2.443 247 K HA 0.582 4.894 4.320 -0.013 0.000 0.252 247 K C -0.458 176.168 176.600 0.043 0.000 0.933 247 K CA -0.424 55.920 56.287 0.094 0.000 0.792 247 K CB 2.174 34.755 32.500 0.136 0.000 1.185 247 K HN 0.838 nan 8.250 nan 0.000 0.425 248 A N 4.784 127.572 122.820 -0.053 0.000 2.440 248 A HA 0.371 4.683 4.320 -0.013 0.000 0.251 248 A C -2.066 175.535 177.584 0.028 0.000 1.089 248 A CA -0.939 51.033 52.037 -0.109 0.000 0.779 248 A CB -0.350 18.413 19.000 -0.395 0.000 1.022 248 A HN 0.344 nan 8.150 nan 0.000 0.492 249 P HA 0.096 nan 4.420 nan 0.000 0.272 249 P C 0.037 177.422 177.300 0.142 0.000 1.223 249 P CA -0.349 62.825 63.100 0.123 0.000 0.784 249 P CB 0.598 32.379 31.700 0.135 0.000 0.923 250 N N 0.978 119.741 118.700 0.105 0.000 2.381 250 N HA -0.121 4.611 4.740 -0.013 0.000 0.182 250 N C 0.615 176.197 175.510 0.120 0.000 1.025 250 N CA 1.102 54.212 53.050 0.101 0.000 0.888 250 N CB -0.516 38.015 38.487 0.073 0.000 0.965 250 N HN 0.545 nan 8.380 nan 0.000 0.438 251 D N -0.985 119.486 120.400 0.118 0.000 2.336 251 D HA -0.040 4.592 4.640 -0.013 0.000 0.228 251 D C -0.002 176.365 176.300 0.111 0.000 1.120 251 D CA -0.561 53.498 54.000 0.099 0.000 0.839 251 D CB -1.068 39.769 40.800 0.061 0.000 0.932 251 D HN 0.112 nan 8.370 nan 0.000 0.509 252 F N 1.752 121.714 119.950 0.021 0.000 2.578 252 F HA 0.071 4.590 4.527 -0.013 0.000 0.381 252 F C 0.799 176.603 175.800 0.006 0.000 1.069 252 F CA 0.239 58.248 58.000 0.015 0.000 1.231 252 F CB 0.225 39.234 39.000 0.016 0.000 1.086 252 F HN -0.130 nan 8.300 nan 0.000 0.564 253 N N 2.461 120.810 118.700 -0.585 0.000 2.809 253 N HA -0.281 4.451 4.740 -0.013 0.000 0.244 253 N C -0.831 174.615 175.510 -0.107 0.000 1.018 253 N CA 1.642 54.484 53.050 -0.347 0.000 0.917 253 N CB -1.146 37.222 38.487 -0.198 0.000 1.130 253 N HN 0.558 nan 8.380 nan 0.000 0.591 262 Y N 2.069 122.380 120.300 0.018 0.000 2.128 262 Y HA -0.028 4.514 4.550 -0.013 0.000 0.284 262 Y C 2.642 178.561 175.900 0.032 0.000 1.154 262 Y CA 2.169 60.284 58.100 0.024 0.000 1.149 262 Y CB -0.133 38.339 38.460 0.020 0.000 0.976 262 Y HN 0.188 nan 8.280 nan 0.000 0.505 263 I N 0.582 121.103 120.570 -0.082 0.000 2.127 263 I HA -0.325 3.837 4.170 -0.013 0.000 0.241 263 I C 2.416 178.445 176.117 -0.147 0.000 1.075 263 I CA 1.903 63.106 61.300 -0.161 0.000 1.334 263 I CB -1.488 36.519 38.000 0.011 0.000 1.040 263 I HN 0.338 nan 8.210 nan 0.000 0.405 264 Q N 0.951 120.715 119.800 -0.060 0.000 2.135 264 Q HA -0.137 4.195 4.340 -0.013 0.000 0.204 264 Q C 2.238 178.222 176.000 -0.026 0.000 0.981 264 Q CA 2.256 58.041 55.803 -0.029 0.000 0.856 264 Q CB -0.364 28.373 28.738 -0.001 0.000 0.902 264 Q HN 0.489 nan 8.270 nan 0.000 0.425 265 A N -0.772 122.019 122.820 -0.049 0.000 1.908 265 A HA -0.172 4.140 4.320 -0.013 0.000 0.218 265 A C 2.264 179.854 177.584 0.010 0.000 1.181 265 A CA 1.798 53.831 52.037 -0.007 0.000 0.627 265 A CB -0.901 18.084 19.000 -0.025 0.000 0.818 265 A HN 0.275 nan 8.150 nan 0.000 0.445 266 V N 0.122 119.943 119.914 -0.155 0.000 2.358 266 V HA -0.239 3.873 4.120 -0.013 0.000 0.246 266 V C 2.533 178.585 176.094 -0.069 0.000 1.047 266 V CA 1.897 64.111 62.300 -0.144 0.000 1.035 266 V CB -0.744 30.898 31.823 -0.302 0.000 0.658 266 V HN 0.572 nan 8.190 nan 0.000 0.452 267 L N -0.269 120.917 121.223 -0.062 0.000 2.141 267 L HA -0.151 4.181 4.340 -0.013 0.000 0.209 267 L C 2.095 178.962 176.870 -0.005 0.000 1.094 267 L CA 1.241 56.061 54.840 -0.032 0.000 0.763 267 L CB -0.693 41.352 42.059 -0.024 0.000 0.908 267 L HN 0.320 nan 8.230 nan 0.000 0.437 268 D N 0.097 120.530 120.400 0.055 0.000 2.350 268 D HA -0.096 4.536 4.640 -0.013 0.000 0.216 268 D C 2.170 178.498 176.300 0.048 0.000 0.968 268 D CA 0.538 54.623 54.000 0.143 0.000 0.894 268 D CB -0.022 40.944 40.800 0.277 0.000 0.909 268 D HN 0.214 nan 8.370 nan 0.000 0.520 269 R N 0.240 120.649 120.500 -0.151 0.000 2.159 269 R HA -0.084 4.248 4.340 -0.013 0.000 0.237 269 R C 1.735 177.793 176.300 -0.404 0.000 1.131 269 R CA 0.955 56.713 56.100 -0.569 0.000 0.982 269 R CB -0.291 29.818 30.300 -0.319 0.000 0.868 269 R HN 0.361 nan 8.270 nan 0.000 0.453 270 N N 0.280 118.869 118.700 -0.185 0.000 2.137 270 N HA -0.193 4.539 4.740 -0.013 0.000 0.190 270 N C 1.284 176.734 175.510 -0.101 0.000 1.017 270 N CA 0.791 53.777 53.050 -0.107 0.000 0.859 270 N CB -0.107 38.354 38.487 -0.045 0.000 1.002 270 N HN 0.011 nan 8.380 nan 0.000 0.428 271 L N 1.185 122.356 121.223 -0.087 0.000 2.013 271 L HA -0.195 4.137 4.340 -0.013 0.000 0.212 271 L C 2.458 179.287 176.870 -0.068 0.000 1.073 271 L CA 1.611 56.435 54.840 -0.026 0.000 0.753 271 L CB -1.126 40.986 42.059 0.088 0.000 0.890 271 L HN 0.174 nan 8.230 nan 0.000 0.432 272 A N -0.988 121.722 122.820 -0.183 0.000 1.898 272 A HA -0.174 4.138 4.320 -0.013 0.000 0.216 272 A C 2.144 179.638 177.584 -0.149 0.000 1.181 272 A CA 1.472 53.413 52.037 -0.161 0.000 0.620 272 A CB -0.463 18.367 19.000 -0.284 0.000 0.819 272 A HN 0.533 nan 8.150 nan 0.000 0.442 273 E N 0.012 120.120 120.200 -0.153 0.000 2.427 273 E HA -0.063 4.279 4.350 -0.013 0.000 0.196 273 E C 1.025 177.591 176.600 -0.056 0.000 1.028 273 E CA 0.170 56.513 56.400 -0.095 0.000 0.864 273 E CB -0.115 29.542 29.700 -0.071 0.000 0.813 273 E HN 0.453 nan 8.360 nan 0.000 0.514 274 N N 1.008 119.679 118.700 -0.049 0.000 2.443 274 N HA -0.100 4.632 4.740 -0.013 0.000 0.184 274 N C 1.570 177.082 175.510 0.002 0.000 1.037 274 N CA 0.644 53.694 53.050 -0.001 0.000 0.896 274 N CB -0.038 38.451 38.487 0.002 0.000 0.959 274 N HN 0.263 nan 8.380 nan 0.000 0.442 275 I N 0.352 120.870 120.570 -0.087 0.000 2.194 275 I HA -0.258 3.904 4.170 -0.013 0.000 0.246 275 I C 1.442 177.535 176.117 -0.041 0.000 1.093 275 I CA 1.301 62.520 61.300 -0.136 0.000 1.355 275 I CB -0.209 37.548 38.000 -0.404 0.000 1.046 275 I HN 0.133 nan 8.210 nan 0.000 0.413 276 S N -0.487 115.185 115.700 -0.047 0.000 2.583 276 S HA 0.181 4.643 4.470 -0.013 0.000 0.239 276 S C 1.476 176.218 174.600 0.236 0.000 0.966 276 S CA -0.509 57.750 58.200 0.099 0.000 0.973 276 S CB 0.236 63.482 63.200 0.077 0.000 0.794 276 S HN 0.211 nan 8.310 nan 0.000 0.463 277 R N 1.266 121.907 120.500 0.235 0.000 2.073 277 R HA 0.285 4.617 4.340 -0.013 0.000 0.229 277 R C 0.353 176.914 176.300 0.435 0.000 1.120 277 R CA 1.045 57.326 56.100 0.301 0.000 0.967 277 R CB -0.203 30.233 30.300 0.227 0.000 0.862 277 R HN 0.390 nan 8.270 nan 0.000 0.436 278 V N 0.392 120.520 119.914 0.356 0.000 2.851 278 V HA 0.347 4.459 4.120 -0.013 0.000 0.307 278 V C -1.599 174.461 176.094 -0.056 0.000 1.129 278 V CA -1.377 61.047 62.300 0.208 0.000 0.932 278 V CB 1.781 33.642 31.823 0.064 0.000 1.024 278 V HN 0.145 nan 8.190 nan 0.000 0.426 279 L N 6.914 127.871 121.223 -0.444 0.000 2.410 279 L HA 0.446 4.778 4.340 -0.013 0.000 0.273 279 L C -0.810 175.899 176.870 -0.269 0.000 1.144 279 L CA 0.476 54.856 54.840 -0.768 0.000 0.863 279 L CB 0.383 41.933 42.059 -0.849 0.000 1.140 279 L HN 0.679 nan 8.230 nan 0.000 0.463 280 Y N 7.369 127.577 120.300 -0.153 0.000 2.605 280 Y HA 0.176 4.718 4.550 -0.013 0.000 0.336 280 Y C -1.302 174.585 175.900 -0.022 0.000 1.111 280 Y CA -1.034 57.046 58.100 -0.033 0.000 1.422 280 Y CB 0.365 38.831 38.460 0.009 0.000 1.193 280 Y HN 0.590 nan 8.280 nan 0.000 0.526 281 P HA -0.024 nan 4.420 nan 0.000 0.262 281 P C -0.754 176.676 177.300 0.217 0.000 1.304 281 P CA 0.109 63.314 63.100 0.175 0.000 0.859 281 P CB 0.154 32.050 31.700 0.327 0.000 1.310 282 N N 1.629 120.462 118.700 0.221 0.000 2.415 282 N HA -0.001 4.731 4.740 -0.013 0.000 0.250 282 N C -0.042 175.594 175.510 0.210 0.000 1.127 282 N CA -0.036 53.144 53.050 0.217 0.000 0.945 282 N CB 0.468 39.078 38.487 0.206 0.000 1.196 282 N HN 0.066 nan 8.380 nan 0.000 0.499 283 D N 1.348 121.902 120.400 0.257 0.000 2.402 283 D HA -0.061 4.571 4.640 -0.013 0.000 0.216 283 D C 0.436 176.969 176.300 0.390 0.000 1.128 283 D CA -0.188 53.985 54.000 0.288 0.000 0.833 283 D CB -0.121 40.863 40.800 0.307 0.000 0.971 283 D HN 0.553 nan 8.370 nan 0.000 0.503 284 N N -0.165 118.754 118.700 0.365 0.000 2.460 284 N HA 0.038 4.770 4.740 -0.013 0.000 0.193 284 N C -0.439 175.219 175.510 0.247 0.000 1.080 284 N CA -0.188 53.066 53.050 0.341 0.000 0.869 284 N CB 0.385 38.944 38.487 0.120 0.000 1.201 284 N HN 0.129 nan 8.380 nan 0.000 0.457 285 F N 0.934 120.906 119.950 0.037 0.000 2.573 285 F HA 0.427 4.946 4.527 -0.013 0.000 0.316 285 F C -1.217 174.609 175.800 0.043 0.000 1.148 285 F CA -1.522 56.487 58.000 0.015 0.000 0.940 285 F CB 1.502 40.464 39.000 -0.064 0.000 1.214 285 F HN -0.108 nan 8.300 nan 0.000 0.448 286 F N 5.347 125.010 119.950 -0.478 0.000 2.495 286 F HA 0.338 4.857 4.527 -0.013 0.000 0.365 286 F C -0.250 175.340 175.800 -0.351 0.000 1.090 286 F CA 0.327 58.091 58.000 -0.394 0.000 1.235 286 F CB 0.507 39.234 39.000 -0.455 0.000 1.119 286 F HN 0.569 nan 8.300 nan 0.000 0.562 287 E N 3.494 123.019 120.200 -1.126 0.000 2.218 287 E HA 0.311 4.653 4.350 -0.013 0.000 0.263 287 E C -0.255 175.555 176.600 -1.317 0.000 0.879 287 E CA -0.753 55.142 56.400 -0.842 0.000 0.762 287 E CB 1.527 31.070 29.700 -0.262 0.000 1.166 287 E HN 0.879 nan 8.360 nan 0.000 0.415 288 G N 4.797 112.980 108.800 -1.030 0.000 3.102 288 G HA2 0.026 3.978 3.960 -0.013 0.000 0.264 288 G HA3 0.026 3.978 3.960 -0.013 0.000 0.264 288 G C -0.090 174.792 174.900 -0.030 0.000 0.788 288 G CA -0.143 44.565 45.100 -0.654 0.000 2.029 288 G HN 0.148 nan 8.290 nan 0.000 0.608 289 K N 0.752 121.153 120.400 0.001 0.000 2.183 289 K HA 0.169 4.481 4.320 -0.013 0.000 0.274 289 K C 0.901 177.645 176.600 0.240 0.000 1.009 289 K CA -0.579 55.783 56.287 0.125 0.000 0.888 289 K CB 2.364 34.906 32.500 0.070 0.000 1.078 289 K HN 0.494 nan 8.250 nan 0.000 0.459 290 E N 2.135 122.445 120.200 0.183 0.000 2.085 290 E HA -0.212 4.130 4.350 -0.013 0.000 0.194 290 E C 1.487 178.119 176.600 0.055 0.000 0.994 290 E CA 1.010 57.470 56.400 0.101 0.000 0.801 290 E CB 0.185 29.945 29.700 0.100 0.000 0.743 290 E HN 0.410 nan 8.360 nan 0.000 0.453 291 L N 1.253 122.549 121.223 0.122 0.000 2.079 291 L HA -0.176 4.156 4.340 -0.013 0.000 0.210 291 L C 2.466 179.435 176.870 0.164 0.000 1.081 291 L CA 1.765 56.695 54.840 0.150 0.000 0.752 291 L CB -0.475 41.739 42.059 0.259 0.000 0.896 291 L HN 0.016 nan 8.230 nan 0.000 0.433 292 R N -0.755 119.787 120.500 0.070 0.000 2.075 292 R HA -0.155 4.178 4.340 -0.013 0.000 0.232 292 R C 2.103 178.455 176.300 0.086 0.000 1.126 292 R CA 1.736 57.808 56.100 -0.048 0.000 0.963 292 R CB -0.963 29.081 30.300 -0.427 0.000 0.858 292 R HN 0.380 nan 8.270 nan 0.000 0.435 293 L N 1.015 122.202 121.223 -0.061 0.000 2.046 293 L HA -0.102 4.231 4.340 -0.013 0.000 0.208 293 L C 1.712 178.526 176.870 -0.094 0.000 1.077 293 L CA 1.939 56.530 54.840 -0.415 0.000 0.747 293 L CB -0.499 41.008 42.059 -0.920 0.000 0.896 293 L HN 0.166 nan 8.230 nan 0.000 0.432 294 K N -0.990 119.395 120.400 -0.025 0.000 2.063 294 K HA -0.221 4.091 4.320 -0.013 0.000 0.208 294 K C 2.091 178.857 176.600 0.277 0.000 1.048 294 K CA 1.901 58.235 56.287 0.078 0.000 0.928 294 K CB -0.210 32.149 32.500 -0.236 0.000 0.713 294 K HN 0.515 nan 8.250 nan 0.000 0.442 295 Q N 0.551 120.481 119.800 0.217 0.000 2.084 295 Q HA -0.194 4.138 4.340 -0.013 0.000 0.202 295 Q C 1.974 178.179 176.000 0.342 0.000 0.978 295 Q CA 1.466 57.455 55.803 0.309 0.000 0.844 295 Q CB -0.024 28.914 28.738 0.334 0.000 0.898 295 Q HN 0.396 nan 8.270 nan 0.000 0.426 296 E N -0.255 120.100 120.200 0.259 0.000 2.072 296 E HA -0.205 4.137 4.350 -0.013 0.000 0.191 296 E C 1.725 178.444 176.600 0.199 0.000 0.985 296 E CA 0.980 57.514 56.400 0.224 0.000 0.801 296 E CB -0.118 29.692 29.700 0.184 0.000 0.750 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.393 120.746 120.300 0.088 0.000 2.220 297 Y HA -0.198 4.344 4.550 -0.013 0.000 0.291 297 Y C 1.973 177.913 175.900 0.066 0.000 1.129 297 Y CA 1.010 59.119 58.100 0.014 0.000 1.161 297 Y CB -0.357 38.084 38.460 -0.033 0.000 0.997 297 Y HN 0.006 nan 8.280 nan 0.000 0.522 298 F N -0.271 119.692 119.950 0.023 0.000 2.065 298 F HA -0.264 4.256 4.527 -0.013 0.000 0.298 298 F C 2.497 178.158 175.800 -0.232 0.000 1.112 298 F CA 2.061 60.023 58.000 -0.064 0.000 1.212 298 F CB -1.084 38.028 39.000 0.186 0.000 0.975 298 F HN -0.045 nan 8.300 nan 0.000 0.476 299 V N -0.490 119.388 119.914 -0.061 0.000 2.358 299 V HA -0.208 3.904 4.120 -0.013 0.000 0.246 299 V C 2.216 178.158 176.094 -0.253 0.000 1.047 299 V CA 1.978 64.210 62.300 -0.113 0.000 1.035 299 V CB -0.425 31.535 31.823 0.228 0.000 0.658 299 V HN 0.263 nan 8.190 nan 0.000 0.452 300 V N 0.441 120.219 119.914 -0.227 0.000 2.295 300 V HA -0.198 3.914 4.120 -0.013 0.000 0.246 300 V C 2.814 178.645 176.094 -0.438 0.000 1.049 300 V CA 2.268 64.414 62.300 -0.256 0.000 1.024 300 V CB -1.083 30.649 31.823 -0.152 0.000 0.648 300 V HN 0.656 nan 8.190 nan 0.000 0.447 301 A N -0.300 122.088 122.820 -0.720 0.000 1.873 301 A HA -0.074 4.238 4.320 -0.013 0.000 0.215 301 A C 2.401 179.611 177.584 -0.623 0.000 1.186 301 A CA 2.016 53.624 52.037 -0.714 0.000 0.616 301 A CB -0.817 17.552 19.000 -1.052 0.000 0.823 301 A HN 0.566 nan 8.150 nan 0.000 0.442 302 A N -0.954 121.336 122.820 -0.884 0.000 1.902 302 A HA -0.081 4.231 4.320 -0.013 0.000 0.217 302 A C 2.314 179.386 177.584 -0.853 0.000 1.181 302 A CA 2.319 53.639 52.037 -1.195 0.000 0.623 302 A CB -1.302 16.334 19.000 -2.274 0.000 0.818 302 A HN 0.427 nan 8.150 nan 0.000 0.443 303 T N 0.225 114.418 114.554 -0.601 0.000 2.708 303 T HA -0.115 4.227 4.350 -0.013 0.000 0.266 303 T C 1.739 176.171 174.700 -0.447 0.000 1.037 303 T CA 1.610 63.472 62.100 -0.396 0.000 1.146 303 T CB -0.333 68.303 68.868 -0.386 0.000 0.865 303 T HN 0.212 nan 8.240 nan 0.000 0.435 304 L N 1.120 122.127 121.223 -0.360 0.000 2.083 304 L HA -0.044 4.288 4.340 -0.013 0.000 0.209 304 L C 2.641 179.398 176.870 -0.190 0.000 1.083 304 L CA 1.557 56.239 54.840 -0.264 0.000 0.752 304 L CB -0.793 41.148 42.059 -0.197 0.000 0.899 304 L HN 0.303 nan 8.230 nan 0.000 0.433 305 Q N -0.993 118.692 119.800 -0.190 0.000 2.124 305 Q HA -0.241 4.092 4.340 -0.013 0.000 0.202 305 Q C 1.784 177.760 176.000 -0.040 0.000 0.977 305 Q CA 1.610 57.353 55.803 -0.100 0.000 0.850 305 Q CB -0.153 28.515 28.738 -0.117 0.000 0.901 305 Q HN 0.439 nan 8.270 nan 0.000 0.429 306 D N 0.533 120.899 120.400 -0.057 0.000 2.097 306 D HA -0.095 4.537 4.640 -0.013 0.000 0.197 306 D C 1.710 177.966 176.300 -0.075 0.000 0.984 306 D CA 0.846 54.860 54.000 0.024 0.000 0.826 306 D CB -0.044 40.855 40.800 0.165 0.000 0.973 306 D HN 0.147 nan 8.370 nan 0.000 0.460 307 I N 0.198 120.606 120.570 -0.270 0.000 2.127 307 I HA -0.270 3.892 4.170 -0.013 0.000 0.241 307 I C 2.320 178.453 176.117 0.027 0.000 1.075 307 I CA 0.867 61.954 61.300 -0.356 0.000 1.334 307 I CB -0.200 37.439 38.000 -0.602 0.000 1.040 307 I HN 0.044 nan 8.210 nan 0.000 0.405 308 I N 0.163 120.802 120.570 0.115 0.000 2.252 308 I HA -0.288 3.874 4.170 -0.013 0.000 0.245 308 I C 2.790 179.075 176.117 0.281 0.000 1.102 308 I CA 1.159 62.638 61.300 0.300 0.000 1.385 308 I CB -0.420 37.706 38.000 0.211 0.000 1.064 308 I HN 0.188 nan 8.210 nan 0.000 0.414 309 R N 1.193 121.792 120.500 0.166 0.000 2.083 309 R HA -0.231 4.102 4.340 -0.013 0.000 0.237 309 R C 2.498 178.889 176.300 0.151 0.000 1.137 309 R CA 1.822 58.011 56.100 0.148 0.000 0.951 309 R CB -0.288 30.090 30.300 0.130 0.000 0.851 309 R HN 0.216 nan 8.270 nan 0.000 0.434 310 R N -0.606 119.982 120.500 0.147 0.000 2.096 310 R HA -0.164 4.168 4.340 -0.013 0.000 0.235 310 R C 2.180 178.583 176.300 0.171 0.000 1.127 310 R CA 1.640 57.830 56.100 0.149 0.000 0.968 310 R CB -0.351 30.024 30.300 0.125 0.000 0.861 310 R HN 0.296 nan 8.270 nan 0.000 0.440 311 F N 1.383 121.373 119.950 0.068 0.000 2.146 311 F HA -0.111 4.408 4.527 -0.013 0.000 0.298 311 F C 1.682 177.489 175.800 0.011 0.000 1.096 311 F CA 1.516 59.543 58.000 0.045 0.000 1.275 311 F CB 0.057 39.134 39.000 0.129 0.000 1.008 311 F HN -0.140 nan 8.300 nan 0.000 0.480 312 K N -0.315 120.050 120.400 -0.059 0.000 2.155 312 K HA -0.001 4.311 4.320 -0.013 0.000 0.203 312 K C 1.310 177.827 176.600 -0.138 0.000 1.052 312 K CA 1.174 57.352 56.287 -0.181 0.000 0.948 312 K CB -0.240 32.261 32.500 0.001 0.000 0.728 312 K HN 0.075 nan 8.250 nan 0.000 0.448 313 S N 1.635 117.319 115.700 -0.026 0.000 2.930 313 S HA 0.117 4.579 4.470 -0.013 0.000 0.257 313 S C -0.045 174.563 174.600 0.013 0.000 1.208 313 S CA -0.300 57.923 58.200 0.037 0.000 1.233 313 S CB 0.087 63.365 63.200 0.130 0.000 0.900 313 S HN 0.113 nan 8.310 nan 0.000 0.472 325 N N 0.881 119.559 118.700 -0.035 0.000 2.521 325 N HA 0.274 5.006 4.740 -0.013 0.000 0.236 325 N C -0.543 175.035 175.510 0.114 0.000 1.067 325 N CA -0.092 52.996 53.050 0.064 0.000 0.939 325 N CB 0.222 38.741 38.487 0.052 0.000 1.201 325 N HN 0.147 nan 8.380 nan 0.000 0.511 326 F N 1.848 121.905 119.950 0.178 0.000 2.811 326 F HA 0.075 4.594 4.527 -0.013 0.000 0.301 326 F C 1.351 177.216 175.800 0.108 0.000 1.151 326 F CA 0.097 58.177 58.000 0.133 0.000 1.412 326 F CB 0.341 39.306 39.000 -0.059 0.000 1.113 326 F HN 0.465 nan 8.300 nan 0.000 0.579 327 D N 0.322 120.864 120.400 0.237 0.000 2.178 327 D HA -0.163 4.469 4.640 -0.013 0.000 0.201 327 D C 2.178 178.571 176.300 0.155 0.000 0.980 327 D CA 1.260 55.355 54.000 0.159 0.000 0.842 327 D CB -0.138 40.730 40.800 0.113 0.000 0.948 327 D HN 0.227 nan 8.370 nan 0.000 0.472 328 A N -0.677 122.262 122.820 0.199 0.000 2.251 328 A HA 0.084 4.396 4.320 -0.013 0.000 0.209 328 A C 1.584 179.293 177.584 0.208 0.000 1.187 328 A CA -0.213 51.940 52.037 0.192 0.000 0.823 328 A CB -0.804 18.313 19.000 0.196 0.000 0.846 328 A HN 0.223 nan 8.150 nan 0.000 0.486 329 F N 1.887 121.813 119.950 -0.040 0.000 2.065 329 F HA -0.137 4.383 4.527 -0.013 0.000 0.298 329 F C -0.767 174.930 175.800 -0.172 0.000 1.112 329 F CA 2.496 60.266 58.000 -0.384 0.000 1.212 329 F CB -0.552 38.209 39.000 -0.398 0.000 0.975 329 F HN 0.202 nan 8.300 nan 0.000 0.476 330 P HA -0.092 nan 4.420 nan 0.000 0.226 330 P C 0.675 177.926 177.300 -0.082 0.000 1.153 330 P CA 1.398 64.459 63.100 -0.065 0.000 0.777 330 P CB -0.072 31.618 31.700 -0.017 0.000 0.794 331 D N -0.777 119.599 120.400 -0.041 0.000 2.323 331 D HA -0.025 4.608 4.640 -0.013 0.000 0.209 331 D C 1.471 177.754 176.300 -0.029 0.000 0.973 331 D CA 0.891 54.880 54.000 -0.017 0.000 0.874 331 D CB 0.135 40.946 40.800 0.019 0.000 0.930 331 D HN 0.159 nan 8.370 nan 0.000 0.521 332 K N 0.056 120.418 120.400 -0.064 0.000 2.402 332 K HA 0.210 4.522 4.320 -0.013 0.000 0.203 332 K C -0.112 176.403 176.600 -0.142 0.000 1.077 332 K CA 0.069 56.328 56.287 -0.046 0.000 1.051 332 K CB 2.436 35.003 32.500 0.111 0.000 0.907 332 K HN -0.070 nan 8.250 nan 0.000 0.554 333 V N 1.162 120.904 119.914 -0.287 0.000 2.623 333 V HA 0.585 4.697 4.120 -0.013 0.000 0.304 333 V C -1.009 174.988 176.094 -0.161 0.000 1.054 333 V CA -1.253 60.872 62.300 -0.292 0.000 0.882 333 V CB 1.756 33.102 31.823 -0.796 0.000 1.002 333 V HN 0.117 nan 8.190 nan 0.000 0.424 334 A N 5.898 128.674 122.820 -0.074 0.000 2.343 334 A HA 0.925 5.237 4.320 -0.013 0.000 0.316 334 A C -0.890 176.713 177.584 0.030 0.000 1.104 334 A CA -0.497 51.527 52.037 -0.023 0.000 0.768 334 A CB 0.934 19.867 19.000 -0.112 0.000 1.213 334 A HN 0.778 nan 8.150 nan 0.000 0.456 335 I N 1.913 122.547 120.570 0.107 0.000 2.382 335 I HA 0.290 4.452 4.170 -0.013 0.000 0.286 335 I C -0.290 175.918 176.117 0.151 0.000 1.002 335 I CA -0.530 60.847 61.300 0.128 0.000 1.135 335 I CB 1.879 39.938 38.000 0.098 0.000 1.288 335 I HN 0.702 nan 8.210 nan 0.000 0.448 336 Q N 6.736 126.619 119.800 0.137 0.000 2.290 336 Q HA 0.513 4.845 4.340 -0.013 0.000 0.259 336 Q C -1.329 174.652 176.000 -0.032 0.000 0.941 336 Q CA -0.264 55.640 55.803 0.169 0.000 0.912 336 Q CB 1.375 30.325 28.738 0.353 0.000 1.244 336 Q HN 0.574 nan 8.270 nan 0.000 0.441 337 L N 3.838 125.085 121.223 0.041 0.000 2.255 337 L HA 0.395 4.728 4.340 -0.013 0.000 0.289 337 L C 0.037 176.917 176.870 0.018 0.000 1.046 337 L CA -0.756 54.101 54.840 0.028 0.000 0.816 337 L CB 0.681 42.812 42.059 0.121 0.000 1.197 337 L HN 0.568 nan 8.230 nan 0.000 0.427 338 N N 4.339 122.972 118.700 -0.113 0.000 2.466 338 N HA 0.035 4.767 4.740 -0.013 0.000 0.263 338 N C -0.083 175.449 175.510 0.036 0.000 1.178 338 N CA 0.573 53.619 53.050 -0.006 0.000 0.983 338 N CB -0.187 38.238 38.487 -0.102 0.000 1.331 338 N HN 0.618 nan 8.380 nan 0.000 0.500 339 D N -0.173 120.337 120.400 0.183 0.000 4.160 339 D HA -0.231 4.401 4.640 -0.013 0.000 0.291 339 D C 0.444 176.838 176.300 0.156 0.000 2.226 339 D CA 1.638 55.729 54.000 0.151 0.000 1.157 339 D CB -0.553 40.068 40.800 -0.298 0.000 1.020 339 D HN 0.499 nan 8.370 nan 0.000 1.219 340 T N -2.527 112.055 114.554 0.046 0.000 3.129 340 T HA 0.079 4.421 4.350 -0.013 0.000 0.251 340 T C 1.659 176.428 174.700 0.115 0.000 1.117 340 T CA 1.601 63.703 62.100 0.003 0.000 1.034 340 T CB -0.525 68.310 68.868 -0.056 0.000 0.968 340 T HN 0.514 nan 8.240 nan 0.000 0.526 341 H N 2.642 121.798 119.070 0.143 0.000 2.353 341 H HA -0.007 4.541 4.556 -0.013 0.000 0.298 341 H C -0.874 174.546 175.328 0.153 0.000 1.103 341 H CA 1.045 57.195 56.048 0.169 0.000 1.293 341 H CB -0.905 28.959 29.762 0.169 0.000 1.372 341 H HN 0.443 nan 8.280 nan 0.000 0.501 342 P HA 0.079 nan 4.420 nan 0.000 0.254 342 P C 0.693 178.039 177.300 0.077 0.000 1.620 342 P CA 0.330 63.513 63.100 0.138 0.000 1.050 342 P CB 0.291 32.061 31.700 0.117 0.000 1.539 343 S N -0.376 115.363 115.700 0.065 0.000 2.440 343 S HA -0.120 4.342 4.470 -0.013 0.000 0.238 343 S C 1.732 176.336 174.600 0.006 0.000 1.010 343 S CA 0.724 58.923 58.200 -0.001 0.000 0.972 343 S CB -1.443 61.727 63.200 -0.051 0.000 0.774 343 S HN 0.154 nan 8.310 nan 0.000 0.501 344 L N 0.954 122.194 121.223 0.028 0.000 2.450 344 L HA 0.004 4.336 4.340 -0.013 0.000 0.224 344 L C 2.932 179.830 176.870 0.048 0.000 1.149 344 L CA 0.633 55.489 54.840 0.026 0.000 0.816 344 L CB -0.765 41.306 42.059 0.019 0.000 0.932 344 L HN 0.478 nan 8.230 nan 0.000 0.449 345 A N 0.563 123.395 122.820 0.020 0.000 1.978 345 A HA -0.214 4.098 4.320 -0.013 0.000 0.220 345 A C 2.171 179.754 177.584 -0.002 0.000 1.170 345 A CA 1.590 53.626 52.037 -0.003 0.000 0.636 345 A CB -0.479 18.513 19.000 -0.013 0.000 0.810 345 A HN 0.385 nan 8.150 nan 0.000 0.448 346 I N 0.182 120.754 120.570 0.003 0.000 2.133 346 I HA -0.133 4.029 4.170 -0.013 0.000 0.238 346 I C -0.382 175.758 176.117 0.038 0.000 1.074 346 I CA 1.487 62.788 61.300 0.002 0.000 1.342 346 I CB -0.941 37.062 38.000 0.005 0.000 1.053 346 I HN 0.243 nan 8.210 nan 0.000 0.404 347 P HA -0.149 nan 4.420 nan 0.000 0.225 347 P C 1.243 178.583 177.300 0.067 0.000 1.156 347 P CA 1.382 64.528 63.100 0.077 0.000 0.787 347 P CB 0.056 31.823 31.700 0.111 0.000 0.802 348 E N 0.293 120.589 120.200 0.161 0.000 2.072 348 E HA -0.145 4.197 4.350 -0.013 0.000 0.191 348 E C 1.913 178.502 176.600 -0.019 0.000 0.985 348 E CA 0.656 57.161 56.400 0.176 0.000 0.801 348 E CB -1.203 28.637 29.700 0.234 0.000 0.750 348 E HN -0.016 nan 8.360 nan 0.000 0.452 349 L N 0.024 121.203 121.223 -0.072 0.000 2.046 349 L HA -0.128 4.205 4.340 -0.013 0.000 0.208 349 L C 2.108 178.836 176.870 -0.236 0.000 1.077 349 L CA 1.774 56.511 54.840 -0.172 0.000 0.747 349 L CB -0.560 41.400 42.059 -0.165 0.000 0.896 349 L HN 0.248 nan 8.230 nan 0.000 0.432 350 M N -0.883 118.596 119.600 -0.202 0.000 2.108 350 M HA -0.227 4.245 4.480 -0.013 0.000 0.261 350 M C 2.431 178.565 176.300 -0.277 0.000 1.066 350 M CA 1.583 56.709 55.300 -0.291 0.000 1.107 350 M CB -1.254 31.161 32.600 -0.307 0.000 1.356 350 M HN 0.330 nan 8.290 nan 0.000 0.406 351 R N 0.090 120.455 120.500 -0.224 0.000 2.083 351 R HA -0.136 4.196 4.340 -0.013 0.000 0.237 351 R C 2.082 178.274 176.300 -0.179 0.000 1.137 351 R CA 1.738 57.707 56.100 -0.220 0.000 0.951 351 R CB -0.213 29.902 30.300 -0.307 0.000 0.851 351 R HN 0.215 nan 8.270 nan 0.000 0.434 352 V N 1.500 121.307 119.914 -0.179 0.000 2.295 352 V HA -0.262 3.850 4.120 -0.013 0.000 0.246 352 V C 2.428 178.354 176.094 -0.279 0.000 1.049 352 V CA 1.770 63.956 62.300 -0.190 0.000 1.024 352 V CB -0.425 31.284 31.823 -0.189 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.673 120.321 121.223 -0.380 0.000 2.056 353 L HA -0.123 4.209 4.340 -0.013 0.000 0.207 353 L C 2.398 179.077 176.870 -0.318 0.000 1.078 353 L CA 1.114 55.660 54.840 -0.490 0.000 0.749 353 L CB -0.594 41.129 42.059 -0.560 0.000 0.901 353 L HN 0.205 nan 8.230 nan 0.000 0.433 354 V N -0.556 119.216 119.914 -0.238 0.000 2.331 354 V HA -0.182 3.930 4.120 -0.013 0.000 0.242 354 V C 1.955 178.003 176.094 -0.077 0.000 1.034 354 V CA 1.683 63.907 62.300 -0.127 0.000 1.027 354 V CB -0.341 31.438 31.823 -0.073 0.000 0.667 354 V HN 0.339 nan 8.190 nan 0.000 0.457 355 D N -0.092 120.257 120.400 -0.085 0.000 2.149 355 D HA -0.011 4.621 4.640 -0.013 0.000 0.201 355 D C 1.996 178.264 176.300 -0.052 0.000 0.972 355 D CA 1.158 55.126 54.000 -0.054 0.000 0.835 355 D CB 0.087 40.852 40.800 -0.058 0.000 0.966 355 D HN 0.335 nan 8.370 nan 0.000 0.476 356 L N 0.063 121.239 121.223 -0.079 0.000 2.362 356 L HA 0.133 4.465 4.340 -0.013 0.000 0.204 356 L C 1.837 178.674 176.870 -0.055 0.000 1.060 356 L CA 0.454 55.259 54.840 -0.059 0.000 0.827 356 L CB 0.102 42.125 42.059 -0.060 0.000 1.027 356 L HN -0.199 nan 8.230 nan 0.000 0.474 357 E N 0.325 120.458 120.200 -0.111 0.000 2.474 357 E HA 0.042 4.384 4.350 -0.013 0.000 0.194 357 E C 0.162 176.726 176.600 -0.060 0.000 1.041 357 E CA -0.044 56.300 56.400 -0.093 0.000 0.874 357 E CB 0.419 29.955 29.700 -0.273 0.000 0.914 357 E HN 0.195 nan 8.360 nan 0.000 0.498 358 R N -0.474 119.986 120.500 -0.066 0.000 3.878 358 R HA -0.184 4.148 4.340 -0.013 0.000 0.330 358 R C -0.168 176.118 176.300 -0.023 0.000 1.186 358 R CA 0.253 56.337 56.100 -0.027 0.000 0.885 358 R CB -2.814 27.488 30.300 0.003 0.000 1.377 358 R HN 0.101 nan 8.270 nan 0.000 0.523 359 L N 2.704 123.885 121.223 -0.069 0.000 2.467 359 L HA 0.067 4.399 4.340 -0.013 0.000 0.270 359 L C 1.496 178.359 176.870 -0.013 0.000 1.205 359 L CA 0.537 55.346 54.840 -0.052 0.000 0.828 359 L CB 0.293 42.274 42.059 -0.130 0.000 1.101 359 L HN 0.127 nan 8.230 nan 0.000 0.479 360 D N 1.105 121.522 120.400 0.028 0.000 2.368 360 D HA -0.149 4.483 4.640 -0.013 0.000 0.240 360 D C 0.939 177.306 176.300 0.112 0.000 1.169 360 D CA -0.497 53.555 54.000 0.085 0.000 0.906 360 D CB 0.641 41.497 40.800 0.092 0.000 1.187 360 D HN 0.618 nan 8.370 nan 0.000 0.435 361 W N 1.702 123.005 121.300 0.004 0.000 2.317 361 W HA -0.221 4.431 4.660 -0.013 0.000 0.318 361 W C 1.070 177.632 176.519 0.072 0.000 1.227 361 W CA 1.873 59.227 57.345 0.015 0.000 1.269 361 W CB -0.248 29.202 29.460 -0.017 0.000 1.155 361 W HN 0.437 nan 8.180 nan 0.000 0.484 362 D N 0.329 120.924 120.400 0.325 0.000 2.123 362 D HA -0.202 4.430 4.640 -0.013 0.000 0.196 362 D C 1.871 178.271 176.300 0.167 0.000 0.992 362 D CA 1.901 56.067 54.000 0.276 0.000 0.833 362 D CB -0.410 40.524 40.800 0.223 0.000 0.954 362 D HN 0.094 nan 8.370 nan 0.000 0.455 363 K N 1.238 121.695 120.400 0.095 0.000 2.025 363 K HA 0.004 4.316 4.320 -0.013 0.000 0.207 363 K C 1.872 178.461 176.600 -0.017 0.000 1.049 363 K CA 1.453 57.767 56.287 0.046 0.000 0.933 363 K CB -0.554 31.969 32.500 0.038 0.000 0.714 363 K HN -0.006 nan 8.250 nan 0.000 0.438 364 A N 0.678 123.444 122.820 -0.090 0.000 1.908 364 A HA -0.200 4.112 4.320 -0.013 0.000 0.218 364 A C 2.257 179.744 177.584 -0.163 0.000 1.181 364 A CA 1.574 53.489 52.037 -0.204 0.000 0.627 364 A CB -1.268 17.542 19.000 -0.317 0.000 0.818 364 A HN 0.707 nan 8.150 nan 0.000 0.445 365 W N 0.645 121.735 121.300 -0.351 0.000 2.363 365 W HA -0.174 4.479 4.660 -0.013 0.000 0.296 365 W C 1.993 178.453 176.519 -0.099 0.000 1.212 365 W CA 1.854 59.045 57.345 -0.257 0.000 1.260 365 W CB -0.109 29.234 29.460 -0.195 0.000 1.131 365 W HN 0.628 nan 8.180 nan 0.000 0.530 366 E N 0.090 120.278 120.200 -0.020 0.000 2.058 366 E HA -0.229 4.113 4.350 -0.013 0.000 0.194 366 E C 2.056 178.580 176.600 -0.126 0.000 0.997 366 E CA 2.009 58.367 56.400 -0.070 0.000 0.801 366 E CB -0.347 29.367 29.700 0.023 0.000 0.746 366 E HN 0.047 nan 8.360 nan 0.000 0.450 367 V N 0.808 120.663 119.914 -0.099 0.000 2.295 367 V HA -0.279 3.833 4.120 -0.013 0.000 0.246 367 V C 2.426 178.454 176.094 -0.109 0.000 1.049 367 V CA 2.241 64.501 62.300 -0.068 0.000 1.024 367 V CB -0.857 30.922 31.823 -0.072 0.000 0.648 367 V HN 0.395 nan 8.190 nan 0.000 0.447 368 T N 0.079 114.497 114.554 -0.227 0.000 2.652 368 T HA -0.194 4.148 4.350 -0.013 0.000 0.267 368 T C 1.946 176.462 174.700 -0.306 0.000 1.039 368 T CA 1.835 63.772 62.100 -0.272 0.000 1.153 368 T CB -0.346 68.301 68.868 -0.369 0.000 0.863 368 T HN 0.273 nan 8.240 nan 0.000 0.428 369 V N 1.498 121.114 119.914 -0.496 0.000 2.287 369 V HA -0.202 3.911 4.120 -0.013 0.000 0.248 369 V C 2.356 178.392 176.094 -0.097 0.000 1.053 369 V CA 1.722 63.787 62.300 -0.391 0.000 1.027 369 V CB -0.520 30.998 31.823 -0.508 0.000 0.646 369 V HN 0.479 nan 8.190 nan 0.000 0.447 370 K N -0.470 119.856 120.400 -0.124 0.000 2.362 370 K HA -0.093 4.219 4.320 -0.013 0.000 0.200 370 K C 2.054 178.583 176.600 -0.118 0.000 1.046 370 K CA 1.520 57.704 56.287 -0.172 0.000 0.952 370 K CB -0.233 32.179 32.500 -0.147 0.000 0.753 370 K HN 0.480 nan 8.250 nan 0.000 0.466 371 T N 0.118 114.677 114.554 0.008 0.000 2.976 371 T HA 0.021 4.363 4.350 -0.013 0.000 0.257 371 T C 0.869 175.665 174.700 0.160 0.000 1.051 371 T CA 0.412 62.559 62.100 0.077 0.000 1.141 371 T CB 0.115 69.071 68.868 0.146 0.000 0.881 371 T HN 0.167 nan 8.240 nan 0.000 0.461 372 C N 2.237 121.628 119.300 0.151 0.000 2.358 372 C HA 0.899 5.351 4.460 -0.013 0.000 0.342 372 C C 0.514 175.590 174.990 0.143 0.000 1.234 372 C CA -1.233 57.862 59.018 0.129 0.000 1.969 372 C CB 0.316 28.067 27.740 0.018 0.000 2.346 372 C HN 0.584 nan 8.230 nan 0.000 0.525 373 A N 2.041 124.933 122.820 0.120 0.000 2.475 373 A HA 0.787 5.099 4.320 -0.013 0.000 0.301 373 A C -1.596 176.064 177.584 0.126 0.000 1.059 373 A CA -0.429 51.623 52.037 0.025 0.000 0.710 373 A CB 1.093 20.096 19.000 0.005 0.000 1.288 373 A HN 0.955 nan 8.150 nan 0.000 0.408 374 Y N 0.952 121.205 120.300 -0.079 0.000 2.376 374 Y HA 0.642 5.184 4.550 -0.013 0.000 0.340 374 Y C -0.586 175.294 175.900 -0.034 0.000 0.965 374 Y CA -0.317 57.746 58.100 -0.061 0.000 1.078 374 Y CB 2.098 40.480 38.460 -0.131 0.000 1.193 374 Y HN 0.566 nan 8.280 nan 0.000 0.452 375 T N 6.592 120.907 114.554 -0.398 0.000 2.770 375 T HA 0.197 4.539 4.350 -0.013 0.000 0.283 375 T C -0.805 173.436 174.700 -0.764 0.000 0.988 375 T CA -0.810 61.004 62.100 -0.475 0.000 0.957 375 T CB 0.445 69.278 68.868 -0.059 0.000 0.930 375 T HN 0.663 nan 8.240 nan 0.000 0.443 376 N N 1.781 120.031 118.700 -0.750 0.000 2.498 376 N HA 0.151 4.883 4.740 -0.013 0.000 0.287 376 N C 0.027 175.396 175.510 -0.235 0.000 1.097 376 N CA -0.346 52.501 53.050 -0.339 0.000 0.973 376 N CB 0.834 39.300 38.487 -0.035 0.000 1.153 376 N HN 0.676 nan 8.380 nan 0.000 0.472 377 H N 0.749 119.846 119.070 0.044 0.000 3.058 377 H HA 0.163 4.711 4.556 -0.013 0.000 0.266 377 H C -0.219 175.017 175.328 -0.153 0.000 1.135 377 H CA -0.025 55.991 56.048 -0.054 0.000 1.174 377 H CB 1.191 30.929 29.762 -0.040 0.000 1.581 377 H HN 0.518 nan 8.280 nan 0.000 0.553 378 T N 0.439 115.009 114.554 0.028 0.000 2.886 378 T HA 0.211 4.553 4.350 -0.013 0.000 0.330 378 T C 0.574 175.282 174.700 0.013 0.000 1.488 378 T CA -0.412 61.650 62.100 -0.063 0.000 1.054 378 T CB 1.475 70.285 68.868 -0.097 0.000 1.348 378 T HN -0.030 nan 8.240 nan 0.000 0.489 379 V N 2.189 122.081 119.914 -0.036 0.000 3.621 379 V HA 0.539 4.651 4.120 -0.013 0.000 0.285 379 V C 0.701 176.747 176.094 -0.079 0.000 1.346 379 V CA 0.119 62.382 62.300 -0.063 0.000 1.104 379 V CB -0.523 31.266 31.823 -0.056 0.000 0.913 379 V HN 0.691 nan 8.190 nan 0.000 0.432 380 L N 3.045 124.213 121.223 -0.091 0.000 2.500 380 L HA 0.239 4.571 4.340 -0.013 0.000 0.272 380 L C -0.695 176.151 176.870 -0.040 0.000 1.149 380 L CA -1.093 53.713 54.840 -0.057 0.000 0.897 380 L CB 0.862 42.875 42.059 -0.077 0.000 1.178 380 L HN 0.142 nan 8.230 nan 0.000 0.473 381 P HA -0.194 nan 4.420 nan 0.000 0.217 381 P C 1.057 178.312 177.300 -0.074 0.000 1.150 381 P CA 1.105 64.177 63.100 -0.047 0.000 0.832 381 P CB 0.071 31.754 31.700 -0.028 0.000 0.787 382 E N 0.688 120.858 120.200 -0.049 0.000 2.333 382 E HA -0.107 4.235 4.350 -0.013 0.000 0.198 382 E C 1.599 178.073 176.600 -0.211 0.000 1.007 382 E CA 1.323 57.634 56.400 -0.147 0.000 0.845 382 E CB -0.837 28.887 29.700 0.041 0.000 0.766 382 E HN 0.205 nan 8.360 nan 0.000 0.507 383 A N 1.197 123.968 122.820 -0.081 0.000 2.195 383 A HA 0.240 4.552 4.320 -0.013 0.000 0.210 383 A C 1.335 178.887 177.584 -0.054 0.000 1.165 383 A CA -0.281 51.740 52.037 -0.026 0.000 0.806 383 A CB -0.088 18.924 19.000 0.019 0.000 0.847 383 A HN 0.152 nan 8.150 nan 0.000 0.482 384 L N 1.212 122.355 121.223 -0.132 0.000 2.397 384 L HA 0.187 4.519 4.340 -0.013 0.000 0.271 384 L C -0.065 176.487 176.870 -0.530 0.000 1.148 384 L CA -0.332 54.385 54.840 -0.205 0.000 0.825 384 L CB 0.633 42.604 42.059 -0.147 0.000 1.117 384 L HN 0.296 nan 8.230 nan 0.000 0.456 385 E N 3.668 123.454 120.200 -0.689 0.000 2.257 385 E HA 0.207 4.549 4.350 -0.013 0.000 0.278 385 E C -0.638 175.317 176.600 -1.075 0.000 1.049 385 E CA -0.103 55.408 56.400 -1.482 0.000 0.876 385 E CB 0.664 29.835 29.700 -0.882 0.000 1.035 385 E HN 0.399 nan 8.360 nan 0.000 0.419 386 R N 3.770 123.510 120.500 -1.267 0.000 2.487 386 R HA 0.183 4.515 4.340 -0.013 0.000 0.288 386 R C -1.243 174.893 176.300 -0.273 0.000 1.394 386 R CA -0.563 55.237 56.100 -0.501 0.000 1.155 386 R CB 0.775 30.910 30.300 -0.275 0.000 1.156 386 R HN 0.461 nan 8.270 nan 0.000 0.553 387 W N 4.413 125.667 121.300 -0.076 0.000 2.311 387 W HA 0.243 4.895 4.660 -0.013 0.000 0.310 387 W C -1.874 174.625 176.519 -0.034 0.000 1.274 387 W CA -2.011 55.358 57.345 0.040 0.000 1.215 387 W CB 0.625 30.086 29.460 0.002 0.000 1.227 387 W HN 0.245 nan 8.180 nan 0.000 0.523 388 P HA -0.104 nan 4.420 nan 0.000 0.265 388 P C 0.783 178.007 177.300 -0.126 0.000 1.193 388 P CA 0.236 63.297 63.100 -0.065 0.000 0.765 388 P CB 0.745 32.237 31.700 -0.346 0.000 0.823 389 V N 3.073 122.955 119.914 -0.053 0.000 2.407 389 V HA -0.274 3.838 4.120 -0.013 0.000 0.248 389 V C 2.124 178.214 176.094 -0.006 0.000 1.055 389 V CA 2.471 64.773 62.300 0.002 0.000 1.049 389 V CB -1.686 30.204 31.823 0.113 0.000 0.662 389 V HN 0.756 nan 8.190 nan 0.000 0.455 390 H N -0.999 118.133 119.070 0.104 0.000 2.456 390 H HA -0.093 4.455 4.556 -0.013 0.000 0.296 390 H C 2.013 177.394 175.328 0.088 0.000 1.079 390 H CA 1.629 57.733 56.048 0.094 0.000 1.322 390 H CB -0.646 29.172 29.762 0.093 0.000 1.388 390 H HN 0.351 nan 8.280 nan 0.000 0.538 391 L N -0.097 121.044 121.223 -0.137 0.000 2.027 391 L HA -0.094 4.238 4.340 -0.013 0.000 0.206 391 L C 2.371 179.216 176.870 -0.042 0.000 1.074 391 L CA 1.072 55.911 54.840 -0.001 0.000 0.745 391 L CB -0.247 41.802 42.059 -0.017 0.000 0.898 391 L HN 0.317 nan 8.230 nan 0.000 0.433 392 L N -0.716 120.451 121.223 -0.094 0.000 2.093 392 L HA -0.216 4.116 4.340 -0.013 0.000 0.208 392 L C 2.476 179.288 176.870 -0.097 0.000 1.085 392 L CA 1.039 55.791 54.840 -0.147 0.000 0.755 392 L CB -0.417 41.540 42.059 -0.171 0.000 0.904 392 L HN 0.297 nan 8.230 nan 0.000 0.435 393 E N -0.343 119.842 120.200 -0.025 0.000 2.085 393 E HA -0.223 4.119 4.350 -0.013 0.000 0.194 393 E C 1.938 178.577 176.600 0.066 0.000 0.994 393 E CA 1.970 58.386 56.400 0.026 0.000 0.801 393 E CB 0.133 29.886 29.700 0.089 0.000 0.743 393 E HN 0.433 nan 8.360 nan 0.000 0.453 394 T N 0.647 115.264 114.554 0.106 0.000 2.809 394 T HA -0.082 4.260 4.350 -0.013 0.000 0.260 394 T C 1.738 176.557 174.700 0.198 0.000 1.039 394 T CA 0.747 62.962 62.100 0.191 0.000 1.141 394 T CB -0.138 68.874 68.868 0.239 0.000 0.869 394 T HN 0.068 nan 8.240 nan 0.000 0.437 395 L N -0.026 121.213 121.223 0.026 0.000 2.095 395 L HA 0.342 4.674 4.340 -0.013 0.000 0.204 395 L C 0.426 177.235 176.870 -0.103 0.000 1.080 395 L CA 1.590 56.323 54.840 -0.178 0.000 0.759 395 L CB 0.033 41.947 42.059 -0.242 0.000 0.914 395 L HN 0.169 nan 8.230 nan 0.000 0.439 396 L N 0.680 121.806 121.223 -0.162 0.000 2.551 396 L HA 0.290 4.622 4.340 -0.013 0.000 0.248 396 L C -1.684 175.005 176.870 -0.302 0.000 1.509 396 L CA -0.958 53.699 54.840 -0.306 0.000 0.842 396 L CB 0.894 42.636 42.059 -0.528 0.000 1.087 396 L HN -0.048 nan 8.230 nan 0.000 0.512 397 P HA -0.203 nan 4.420 nan 0.000 0.216 397 P C 1.456 178.563 177.300 -0.320 0.000 1.150 397 P CA 1.159 64.141 63.100 -0.198 0.000 0.837 397 P CB 0.379 32.039 31.700 -0.068 0.000 0.786 398 R N -0.265 119.862 120.500 -0.621 0.000 2.090 398 R HA -0.120 4.212 4.340 -0.013 0.000 0.228 398 R C 2.294 178.287 176.300 -0.511 0.000 1.110 398 R CA 1.576 57.316 56.100 -0.601 0.000 0.973 398 R CB -1.587 28.195 30.300 -0.863 0.000 0.869 398 R HN 0.245 nan 8.270 nan 0.000 0.440 399 H N -0.384 118.379 119.070 -0.512 0.000 2.387 399 H HA -0.037 4.511 4.556 -0.013 0.000 0.299 399 H C 1.783 176.936 175.328 -0.292 0.000 1.090 399 H CA 1.610 57.441 56.048 -0.362 0.000 1.332 399 H CB -0.068 29.448 29.762 -0.409 0.000 1.386 399 H HN 0.079 nan 8.280 nan 0.000 0.516 400 L N 0.540 121.632 121.223 -0.218 0.000 2.017 400 L HA -0.247 4.085 4.340 -0.013 0.000 0.208 400 L C 1.902 178.551 176.870 -0.368 0.000 1.073 400 L CA 1.620 56.253 54.840 -0.346 0.000 0.745 400 L CB -0.323 41.544 42.059 -0.320 0.000 0.894 400 L HN 0.445 nan 8.230 nan 0.000 0.432 401 Q N -0.265 119.433 119.800 -0.171 0.000 2.096 401 Q HA -0.257 4.075 4.340 -0.013 0.000 0.204 401 Q C 2.154 178.158 176.000 0.006 0.000 0.982 401 Q CA 1.823 57.617 55.803 -0.014 0.000 0.850 401 Q CB -0.159 28.579 28.738 0.000 0.000 0.901 401 Q HN 0.555 nan 8.270 nan 0.000 0.422 402 I N 0.330 120.886 120.570 -0.022 0.000 2.252 402 I HA -0.274 3.888 4.170 -0.013 0.000 0.245 402 I C 2.158 178.346 176.117 0.120 0.000 1.102 402 I CA 1.008 62.382 61.300 0.123 0.000 1.385 402 I CB -0.154 37.878 38.000 0.053 0.000 1.064 402 I HN 0.186 nan 8.210 nan 0.000 0.414 403 I N -0.460 120.102 120.570 -0.015 0.000 2.226 403 I HA -0.329 3.834 4.170 -0.013 0.000 0.245 403 I C 2.388 178.526 176.117 0.035 0.000 1.100 403 I CA 1.482 62.764 61.300 -0.029 0.000 1.374 403 I CB -0.412 37.505 38.000 -0.138 0.000 1.057 403 I HN 0.161 nan 8.210 nan 0.000 0.413 404 Y N 0.775 121.078 120.300 0.005 0.000 2.224 404 Y HA -0.268 4.274 4.550 -0.013 0.000 0.289 404 Y C 2.596 178.460 175.900 -0.059 0.000 1.146 404 Y CA 1.498 59.588 58.100 -0.018 0.000 1.182 404 Y CB -0.776 37.667 38.460 -0.028 0.000 0.983 404 Y HN 0.206 nan 8.280 nan 0.000 0.524 405 E N 0.359 120.595 120.200 0.059 0.000 2.072 405 E HA -0.130 4.212 4.350 -0.013 0.000 0.191 405 E C 2.080 178.592 176.600 -0.147 0.000 0.985 405 E CA 1.167 57.463 56.400 -0.174 0.000 0.801 405 E CB -0.527 28.903 29.700 -0.450 0.000 0.750 405 E HN 0.465 nan 8.360 nan 0.000 0.452 406 I N 0.713 121.296 120.570 0.022 0.000 2.163 406 I HA -0.300 3.863 4.170 -0.013 0.000 0.243 406 I C 2.273 178.390 176.117 0.001 0.000 1.085 406 I CA 1.432 62.697 61.300 -0.057 0.000 1.347 406 I CB -0.410 37.558 38.000 -0.053 0.000 1.044 406 I HN 0.207 nan 8.210 nan 0.000 0.408 407 N N 0.668 119.417 118.700 0.081 0.000 2.084 407 N HA -0.268 4.464 4.740 -0.013 0.000 0.190 407 N C 1.870 177.464 175.510 0.140 0.000 1.030 407 N CA 1.559 54.706 53.050 0.162 0.000 0.849 407 N CB -0.168 38.434 38.487 0.190 0.000 1.012 407 N HN 0.333 nan 8.380 nan 0.000 0.423 408 Q N 0.059 119.888 119.800 0.047 0.000 2.050 408 Q HA -0.135 4.197 4.340 -0.013 0.000 0.202 408 Q C 2.031 178.018 176.000 -0.021 0.000 0.980 408 Q CA 1.387 57.185 55.803 -0.010 0.000 0.840 408 Q CB -0.023 28.671 28.738 -0.074 0.000 0.898 408 Q HN 0.362 nan 8.270 nan 0.000 0.424 409 R N -0.692 119.774 120.500 -0.056 0.000 2.092 409 R HA -0.123 4.209 4.340 -0.013 0.000 0.231 409 R C 2.156 178.482 176.300 0.043 0.000 1.119 409 R CA 1.368 57.433 56.100 -0.058 0.000 0.970 409 R CB -0.330 29.884 30.300 -0.143 0.000 0.864 409 R HN 0.287 nan 8.270 nan 0.000 0.440 410 F N 1.222 121.148 119.950 -0.041 0.000 2.146 410 F HA -0.085 4.434 4.527 -0.013 0.000 0.298 410 F C 1.756 177.580 175.800 0.039 0.000 1.096 410 F CA 1.313 59.336 58.000 0.038 0.000 1.275 410 F CB -0.104 38.950 39.000 0.089 0.000 1.008 410 F HN -0.108 nan 8.300 nan 0.000 0.480 411 L N -0.046 121.187 121.223 0.016 0.000 2.201 411 L HA -0.198 4.135 4.340 -0.013 0.000 0.212 411 L C 1.940 178.749 176.870 -0.102 0.000 1.105 411 L CA 1.332 56.124 54.840 -0.081 0.000 0.775 411 L CB -0.843 41.231 42.059 0.025 0.000 0.913 411 L HN 0.245 nan 8.230 nan 0.000 0.440 412 N N -0.137 118.519 118.700 -0.073 0.000 2.188 412 N HA -0.154 4.578 4.740 -0.013 0.000 0.184 412 N C 1.902 177.360 175.510 -0.087 0.000 1.018 412 N CA 0.759 53.768 53.050 -0.068 0.000 0.858 412 N CB 0.015 38.469 38.487 -0.055 0.000 0.989 412 N HN 0.283 nan 8.380 nan 0.000 0.426 413 R N 0.586 121.015 120.500 -0.117 0.000 2.081 413 R HA -0.055 4.277 4.340 -0.013 0.000 0.235 413 R C 2.196 178.398 176.300 -0.164 0.000 1.131 413 R CA 0.894 56.917 56.100 -0.128 0.000 0.960 413 R CB -0.387 29.838 30.300 -0.124 0.000 0.856 413 R HN 0.088 nan 8.270 nan 0.000 0.436 414 V N 1.039 120.805 119.914 -0.246 0.000 2.295 414 V HA -0.248 3.864 4.120 -0.013 0.000 0.246 414 V C 2.460 178.555 176.094 0.001 0.000 1.049 414 V CA 2.007 64.227 62.300 -0.134 0.000 1.024 414 V CB -0.747 30.926 31.823 -0.250 0.000 0.648 414 V HN 0.410 nan 8.190 nan 0.000 0.447 415 A N -0.062 122.731 122.820 -0.045 0.000 1.940 415 A HA -0.122 4.191 4.320 -0.013 0.000 0.219 415 A C 2.364 179.929 177.584 -0.031 0.000 1.176 415 A CA 2.120 54.147 52.037 -0.018 0.000 0.631 415 A CB -0.687 18.293 19.000 -0.033 0.000 0.814 415 A HN 0.589 nan 8.150 nan 0.000 0.446 416 A N -0.673 122.109 122.820 -0.063 0.000 2.014 416 A HA 0.323 4.635 4.320 -0.013 0.000 0.218 416 A C 2.341 179.843 177.584 -0.136 0.000 1.163 416 A CA 1.651 53.639 52.037 -0.081 0.000 0.652 416 A CB -0.612 18.344 19.000 -0.074 0.000 0.808 416 A HN 0.947 nan 8.150 nan 0.000 0.449 417 A N -1.657 121.045 122.820 -0.196 0.000 1.984 417 A HA 0.404 4.716 4.320 -0.013 0.000 0.214 417 A C 0.409 177.570 177.584 -0.705 0.000 1.173 417 A CA 0.480 52.244 52.037 -0.455 0.000 0.673 417 A CB -0.108 18.570 19.000 -0.536 0.000 0.830 417 A HN 0.405 nan 8.150 nan 0.000 0.453 418 F N 0.114 120.016 119.950 -0.079 0.000 2.622 418 F HA 0.346 4.865 4.527 -0.013 0.000 0.338 418 F C -2.815 172.948 175.800 -0.061 0.000 1.334 418 F CA -2.774 55.184 58.000 -0.069 0.000 1.179 418 F CB 0.892 39.843 39.000 -0.082 0.000 1.471 418 F HN -0.063 nan 8.300 nan 0.000 0.576 419 P HA 0.239 nan 4.420 nan 0.000 0.267 419 P C 0.977 178.298 177.300 0.035 0.000 1.205 419 P CA 0.819 63.932 63.100 0.022 0.000 0.765 419 P CB 1.011 32.705 31.700 -0.010 0.000 0.828 420 G N 2.444 111.258 108.800 0.022 0.000 2.199 420 G HA2 -0.231 3.721 3.960 -0.013 0.000 0.254 420 G HA3 -0.231 3.721 3.960 -0.013 0.000 0.254 420 G C 0.281 175.190 174.900 0.016 0.000 0.982 420 G CA -0.052 45.057 45.100 0.015 0.000 0.632 420 G HN 0.593 nan 8.290 nan 0.000 0.529 421 D N 1.458 121.876 120.400 0.029 0.000 2.558 421 D HA 0.399 5.031 4.640 -0.013 0.000 0.221 421 D C 2.103 178.392 176.300 -0.018 0.000 1.143 421 D CA 0.386 54.388 54.000 0.003 0.000 1.010 421 D CB 0.431 41.231 40.800 -0.001 0.000 1.068 421 D HN 0.565 nan 8.370 nan 0.000 0.511 422 V N 0.668 120.574 119.914 -0.014 0.000 2.515 422 V HA -0.145 3.967 4.120 -0.013 0.000 0.250 422 V C 1.801 177.883 176.094 -0.021 0.000 1.058 422 V CA 1.514 63.805 62.300 -0.015 0.000 1.064 422 V CB -0.481 31.337 31.823 -0.009 0.000 0.675 422 V HN 0.220 nan 8.190 nan 0.000 0.461 423 D N 0.322 120.705 120.400 -0.027 0.000 2.144 423 D HA -0.163 4.469 4.640 -0.013 0.000 0.200 423 D C 2.348 178.619 176.300 -0.048 0.000 0.978 423 D CA 1.268 55.252 54.000 -0.027 0.000 0.833 423 D CB -0.199 40.585 40.800 -0.025 0.000 0.961 423 D HN 0.410 nan 8.370 nan 0.000 0.470 424 R N -0.126 120.320 120.500 -0.090 0.000 2.091 424 R HA -0.114 4.218 4.340 -0.013 0.000 0.238 424 R C 2.274 178.504 176.300 -0.118 0.000 1.136 424 R CA 0.974 56.982 56.100 -0.153 0.000 0.959 424 R CB -0.278 29.863 30.300 -0.265 0.000 0.856 424 R HN 0.267 nan 8.270 nan 0.000 0.437 425 L N 0.487 121.666 121.223 -0.073 0.000 2.042 425 L HA -0.222 4.110 4.340 -0.013 0.000 0.210 425 L C 2.660 179.534 176.870 0.007 0.000 1.076 425 L CA 1.922 56.739 54.840 -0.038 0.000 0.749 425 L CB -0.453 41.593 42.059 -0.022 0.000 0.893 425 L HN 0.299 nan 8.230 nan 0.000 0.432 426 R N -0.103 120.405 120.500 0.014 0.000 2.153 426 R HA -0.064 4.268 4.340 -0.013 0.000 0.218 426 R C 2.152 178.502 176.300 0.083 0.000 1.072 426 R CA 0.820 56.950 56.100 0.049 0.000 0.990 426 R CB -0.443 29.880 30.300 0.038 0.000 0.889 426 R HN 0.177 nan 8.270 nan 0.000 0.452 427 R N 0.186 120.718 120.500 0.053 0.000 2.090 427 R HA 0.116 4.448 4.340 -0.013 0.000 0.228 427 R C 2.005 178.397 176.300 0.154 0.000 1.110 427 R CA 1.748 57.906 56.100 0.096 0.000 0.973 427 R CB -0.173 30.145 30.300 0.029 0.000 0.869 427 R HN 0.323 nan 8.270 nan 0.000 0.440 428 M N 0.084 119.697 119.600 0.021 0.000 2.509 428 M HA 0.046 4.518 4.480 -0.013 0.000 0.250 428 M C 0.846 177.313 176.300 0.279 0.000 1.132 428 M CA 0.028 55.286 55.300 -0.071 0.000 1.080 428 M CB 0.429 32.822 32.600 -0.346 0.000 1.408 428 M HN -0.088 nan 8.290 nan 0.000 0.484 429 S N 1.266 117.133 115.700 0.279 0.000 2.558 429 S HA 0.052 4.514 4.470 -0.013 0.000 0.293 429 S C 1.177 176.029 174.600 0.420 0.000 1.292 429 S CA -0.249 58.137 58.200 0.311 0.000 1.063 429 S CB 0.514 63.836 63.200 0.203 0.000 0.831 429 S HN 0.361 nan 8.310 nan 0.000 0.499 430 L N 4.418 125.843 121.223 0.336 0.000 2.291 430 L HA 0.071 4.403 4.340 -0.013 0.000 0.214 430 L C 0.417 177.391 176.870 0.173 0.000 1.120 430 L CA 0.355 55.346 54.840 0.253 0.000 0.799 430 L CB -0.526 41.628 42.059 0.158 0.000 0.925 430 L HN 0.402 nan 8.230 nan 0.000 0.446 431 V N 1.085 121.115 119.914 0.193 0.000 2.364 431 V HA 0.142 4.254 4.120 -0.013 0.000 0.272 431 V C 0.148 176.325 176.094 0.138 0.000 1.036 431 V CA -0.521 61.881 62.300 0.171 0.000 0.880 431 V CB 1.175 33.131 31.823 0.221 0.000 0.991 431 V HN 0.187 nan 8.190 nan 0.000 0.460 432 E N 3.550 123.811 120.200 0.101 0.000 2.167 432 E HA 0.357 4.699 4.350 -0.013 0.000 0.284 432 E C -0.557 176.091 176.600 0.079 0.000 1.016 432 E CA -0.469 55.980 56.400 0.082 0.000 0.817 432 E CB 1.729 31.456 29.700 0.045 0.000 1.080 432 E HN 0.621 nan 8.360 nan 0.000 0.397 433 E N 1.061 121.305 120.200 0.074 0.000 2.345 433 E HA 0.574 4.916 4.350 -0.013 0.000 0.259 433 E C 0.188 176.823 176.600 0.057 0.000 1.117 433 E CA 0.384 56.823 56.400 0.064 0.000 0.913 433 E CB 1.335 31.066 29.700 0.053 0.000 1.057 433 E HN 0.640 nan 8.360 nan 0.000 0.432 434 G N -0.354 108.479 108.800 0.056 0.000 2.356 434 G HA2 0.279 4.231 3.960 -0.013 0.000 0.266 434 G HA3 0.279 4.231 3.960 -0.013 0.000 0.266 434 G C 0.283 175.217 174.900 0.057 0.000 1.312 434 G CA 0.037 45.168 45.100 0.052 0.000 0.922 434 G HN 0.568 nan 8.290 nan 0.000 0.480 435 A N -0.890 121.964 122.820 0.056 0.000 1.859 435 A HA 0.314 4.626 4.320 -0.013 0.000 0.217 435 A C 1.668 179.300 177.584 0.079 0.000 1.198 435 A CA 3.448 55.521 52.037 0.060 0.000 0.629 435 A CB -1.215 17.819 19.000 0.056 0.000 0.830 435 A HN 2.253 nan 8.150 nan 0.000 0.446 436 V N -2.574 117.398 119.914 0.096 0.000 2.398 436 V HA 0.490 4.603 4.120 -0.013 0.000 0.286 436 V C -0.357 175.805 176.094 0.114 0.000 1.026 436 V CA -1.368 61.011 62.300 0.132 0.000 0.868 436 V CB 1.238 33.167 31.823 0.177 0.000 0.982 436 V HN 0.301 nan 8.190 nan 0.000 0.443 437 K N 4.296 124.770 120.400 0.123 0.000 2.401 437 K HA 0.423 4.736 4.320 -0.013 0.000 0.278 437 K C -0.280 176.380 176.600 0.100 0.000 1.018 437 K CA -0.006 56.349 56.287 0.112 0.000 0.981 437 K CB 0.769 33.349 32.500 0.132 0.000 0.933 437 K HN 0.748 nan 8.250 nan 0.000 0.477 438 R N 1.763 122.313 120.500 0.084 0.000 2.795 438 R HA 0.449 4.781 4.340 -0.013 0.000 0.275 438 R C -0.625 175.710 176.300 0.058 0.000 0.981 438 R CA -1.015 55.123 56.100 0.063 0.000 0.917 438 R CB 1.323 31.642 30.300 0.032 0.000 1.202 438 R HN 0.368 nan 8.270 nan 0.000 0.469 439 I N 2.086 122.687 120.570 0.052 0.000 2.315 439 I HA 0.134 4.296 4.170 -0.013 0.000 0.291 439 I C 0.028 176.125 176.117 -0.033 0.000 1.006 439 I CA -0.708 60.611 61.300 0.030 0.000 1.265 439 I CB 0.900 38.918 38.000 0.030 0.000 1.387 439 I HN 0.488 nan 8.210 nan 0.000 0.475 440 N N 7.062 125.712 118.700 -0.083 0.000 2.402 440 N HA 0.073 4.805 4.740 -0.013 0.000 0.252 440 N C 0.818 176.220 175.510 -0.179 0.000 1.118 440 N CA -0.289 52.630 53.050 -0.219 0.000 0.945 440 N CB 0.928 39.137 38.487 -0.463 0.000 1.147 440 N HN 0.371 nan 8.380 nan 0.000 0.495 441 M N 2.490 121.984 119.600 -0.176 0.000 2.296 441 M HA -0.048 4.424 4.480 -0.013 0.000 0.265 441 M C 1.924 178.075 176.300 -0.249 0.000 1.064 441 M CA 0.664 55.879 55.300 -0.142 0.000 1.109 441 M CB -1.510 31.047 32.600 -0.072 0.000 1.396 441 M HN 0.609 nan 8.290 nan 0.000 0.430 442 A N -0.522 122.144 122.820 -0.258 0.000 1.930 442 A HA -0.169 4.143 4.320 -0.013 0.000 0.217 442 A C 1.976 179.333 177.584 -0.380 0.000 1.175 442 A CA 1.432 53.277 52.037 -0.321 0.000 0.627 442 A CB -1.102 17.918 19.000 0.034 0.000 0.815 442 A HN 0.601 nan 8.150 nan 0.000 0.443 443 H N -1.116 117.732 119.070 -0.370 0.000 2.389 443 H HA 0.011 4.559 4.556 -0.013 0.000 0.299 443 H C 2.100 177.212 175.328 -0.360 0.000 1.081 443 H CA 0.838 56.636 56.048 -0.417 0.000 1.345 443 H CB -0.030 29.700 29.762 -0.054 0.000 1.393 443 H HN 0.372 nan 8.280 nan 0.000 0.520 444 L N 0.376 121.516 121.223 -0.138 0.000 2.046 444 L HA -0.222 4.110 4.340 -0.013 0.000 0.208 444 L C 2.179 178.922 176.870 -0.211 0.000 1.077 444 L CA 1.243 56.003 54.840 -0.133 0.000 0.747 444 L CB -0.342 41.665 42.059 -0.087 0.000 0.896 444 L HN 0.439 nan 8.230 nan 0.000 0.432 445 C N -0.104 118.968 119.300 -0.379 0.000 2.440 445 C HA -0.138 4.315 4.460 -0.013 0.000 0.278 445 C C 2.640 177.395 174.990 -0.392 0.000 1.295 445 C CA 0.469 59.194 59.018 -0.489 0.000 1.738 445 C CB -0.688 26.395 27.740 -1.094 0.000 1.987 445 C HN 0.506 nan 8.230 nan 0.000 0.492 446 I N 1.439 121.729 120.570 -0.466 0.000 2.202 446 I HA -0.164 3.998 4.170 -0.013 0.000 0.242 446 I C 2.786 178.766 176.117 -0.228 0.000 1.091 446 I CA 1.560 62.626 61.300 -0.391 0.000 1.368 446 I CB -0.651 36.980 38.000 -0.615 0.000 1.058 446 I HN 0.239 nan 8.210 nan 0.000 0.410 447 A N 0.793 123.448 122.820 -0.275 0.000 1.908 447 A HA -0.160 4.152 4.320 -0.013 0.000 0.218 447 A C 2.243 179.886 177.584 0.098 0.000 1.181 447 A CA 2.096 54.023 52.037 -0.184 0.000 0.627 447 A CB -1.343 17.383 19.000 -0.457 0.000 0.818 447 A HN 0.491 nan 8.150 nan 0.000 0.445 448 G N -1.360 107.432 108.800 -0.014 0.000 3.284 448 G HA2 0.407 4.359 3.960 -0.013 0.000 0.236 448 G HA3 0.407 4.359 3.960 -0.013 0.000 0.236 448 G C 0.164 174.899 174.900 -0.275 0.000 1.158 448 G CA 0.549 45.506 45.100 -0.238 0.000 0.774 448 G HN 0.365 nan 8.290 nan 0.000 0.545 449 S N -0.338 115.262 115.700 -0.166 0.000 2.536 449 S HA 0.325 4.787 4.470 -0.013 0.000 0.298 449 S C 0.765 175.323 174.600 -0.070 0.000 1.083 449 S CA -0.699 57.435 58.200 -0.110 0.000 0.995 449 S CB 1.280 64.417 63.200 -0.105 0.000 1.058 449 S HN 0.505 nan 8.310 nan 0.000 0.488 450 H N 0.007 119.038 119.070 -0.065 0.000 2.551 450 H HA 0.482 5.030 4.556 -0.013 0.000 0.266 450 H C 0.090 175.403 175.328 -0.026 0.000 0.964 450 H CA 0.304 56.340 56.048 -0.019 0.000 1.180 450 H CB 0.131 29.897 29.762 0.007 0.000 1.408 450 H HN 0.500 nan 8.280 nan 0.000 0.563 451 A N 1.005 123.516 122.820 -0.514 0.000 2.459 451 A HA 0.551 4.863 4.320 -0.013 0.000 0.296 451 A C -1.427 175.949 177.584 -0.347 0.000 1.039 451 A CA -0.572 51.202 52.037 -0.437 0.000 0.698 451 A CB 2.125 20.811 19.000 -0.525 0.000 1.261 451 A HN 0.092 nan 8.150 nan 0.000 0.405 452 V N 4.142 123.816 119.914 -0.400 0.000 2.531 452 V HA 0.570 4.682 4.120 -0.013 0.000 0.301 452 V C -0.734 175.180 176.094 -0.300 0.000 1.034 452 V CA -0.763 61.300 62.300 -0.395 0.000 0.865 452 V CB 1.854 33.293 31.823 -0.640 0.000 0.995 452 V HN 1.007 nan 8.190 nan 0.000 0.424 453 N N 3.100 121.639 118.700 -0.269 0.000 2.225 453 N HA 0.577 5.309 4.740 -0.013 0.000 0.298 453 N C -0.258 175.148 175.510 -0.173 0.000 1.076 453 N CA -0.365 52.569 53.050 -0.194 0.000 0.792 453 N CB 2.804 41.151 38.487 -0.232 0.000 1.498 453 N HN 0.644 nan 8.380 nan 0.000 0.474 454 G N -0.611 108.120 108.800 -0.114 0.000 2.535 454 G HA2 0.418 4.370 3.960 -0.013 0.000 0.303 454 G HA3 0.418 4.370 3.960 -0.013 0.000 0.303 454 G C 0.783 175.737 174.900 0.090 0.000 1.237 454 G CA -0.400 44.683 45.100 -0.028 0.000 0.986 454 G HN 0.658 nan 8.290 nan 0.000 0.494 455 V N -3.947 116.140 119.914 0.288 0.000 3.477 455 V HA 0.702 4.814 4.120 -0.013 0.000 0.297 455 V C 0.550 176.722 176.094 0.131 0.000 1.433 455 V CA 0.424 62.807 62.300 0.139 0.000 1.052 455 V CB -0.647 31.211 31.823 0.058 0.000 0.895 455 V HN 1.325 nan 8.190 nan 0.000 0.438 456 A N 0.027 122.936 122.820 0.148 0.000 2.605 456 A HA 0.649 4.962 4.320 -0.013 0.000 0.294 456 A C 0.707 178.339 177.584 0.081 0.000 1.062 456 A CA -0.095 52.007 52.037 0.108 0.000 0.682 456 A CB 1.310 20.364 19.000 0.089 0.000 1.278 456 A HN 0.040 nan 8.150 nan 0.000 0.410 457 R N 0.940 121.466 120.500 0.045 0.000 2.096 457 R HA -0.168 4.164 4.340 -0.013 0.000 0.240 457 R C 1.642 177.938 176.300 -0.006 0.000 1.139 457 R CA 2.328 58.431 56.100 0.006 0.000 0.952 457 R CB -0.255 30.044 30.300 -0.002 0.000 0.854 457 R HN 0.827 nan 8.270 nan 0.000 0.436 458 I N 0.307 120.882 120.570 0.009 0.000 2.286 458 I HA -0.300 3.862 4.170 -0.013 0.000 0.248 458 I C 2.351 178.477 176.117 0.016 0.000 1.115 458 I CA 1.861 63.160 61.300 -0.002 0.000 1.392 458 I CB -0.243 37.754 38.000 -0.004 0.000 1.065 458 I HN 0.364 nan 8.210 nan 0.000 0.418 459 H N 0.355 119.394 119.070 -0.050 0.000 2.321 459 H HA -0.130 4.418 4.556 -0.013 0.000 0.300 459 H C 2.296 177.587 175.328 -0.063 0.000 1.087 459 H CA 2.225 58.238 56.048 -0.059 0.000 1.319 459 H CB -0.310 29.422 29.762 -0.050 0.000 1.379 459 H HN 0.237 nan 8.280 nan 0.000 0.501 460 S N 0.372 115.946 115.700 -0.211 0.000 2.382 460 S HA -0.129 4.333 4.470 -0.013 0.000 0.228 460 S C 1.899 176.372 174.600 -0.212 0.000 1.027 460 S CA 1.249 59.304 58.200 -0.241 0.000 0.991 460 S CB -0.083 63.047 63.200 -0.117 0.000 0.823 460 S HN 0.495 nan 8.310 nan 0.000 0.469 461 E N 1.069 121.169 120.200 -0.166 0.000 2.106 461 E HA -0.003 4.339 4.350 -0.013 0.000 0.192 461 E C 2.000 178.485 176.600 -0.192 0.000 0.984 461 E CA 0.627 56.921 56.400 -0.177 0.000 0.806 461 E CB -0.333 29.295 29.700 -0.121 0.000 0.750 461 E HN 0.519 nan 8.360 nan 0.000 0.458 462 I N 0.926 121.396 120.570 -0.166 0.000 2.286 462 I HA -0.254 3.908 4.170 -0.013 0.000 0.248 462 I C 2.381 178.372 176.117 -0.210 0.000 1.115 462 I CA 0.694 61.902 61.300 -0.153 0.000 1.392 462 I CB -0.210 37.735 38.000 -0.091 0.000 1.065 462 I HN 0.055 nan 8.210 nan 0.000 0.418 463 L N 0.440 121.498 121.223 -0.275 0.000 2.017 463 L HA -0.238 4.094 4.340 -0.013 0.000 0.208 463 L C 2.516 179.258 176.870 -0.212 0.000 1.073 463 L CA 1.613 56.299 54.840 -0.257 0.000 0.745 463 L CB -0.617 41.355 42.059 -0.145 0.000 0.894 463 L HN 0.197 nan 8.230 nan 0.000 0.432 464 K N 0.044 120.246 120.400 -0.330 0.000 2.148 464 K HA -0.133 4.179 4.320 -0.013 0.000 0.204 464 K C 2.043 178.443 176.600 -0.333 0.000 1.050 464 K CA 1.075 57.032 56.287 -0.551 0.000 0.942 464 K CB 0.035 31.983 32.500 -0.920 0.000 0.724 464 K HN 0.307 nan 8.250 nan 0.000 0.446 465 K N -0.126 120.135 120.400 -0.230 0.000 2.262 465 K HA -0.020 4.292 4.320 -0.013 0.000 0.200 465 K C 1.908 178.454 176.600 -0.090 0.000 1.049 465 K CA 1.313 57.519 56.287 -0.136 0.000 0.979 465 K CB 0.461 32.890 32.500 -0.117 0.000 0.773 465 K HN 0.259 nan 8.250 nan 0.000 0.474 466 T N -1.074 113.416 114.554 -0.108 0.000 3.330 466 T HA 0.071 4.413 4.350 -0.013 0.000 0.185 466 T C 1.925 176.582 174.700 -0.072 0.000 0.874 466 T CA -0.066 61.984 62.100 -0.084 0.000 1.268 466 T CB -0.726 68.085 68.868 -0.095 0.000 1.866 466 T HN 0.110 nan 8.240 nan 0.000 0.395 467 I N -1.082 119.386 120.570 -0.169 0.000 2.493 467 I HA 0.244 4.406 4.170 -0.013 0.000 0.254 467 I C 1.441 177.568 176.117 0.017 0.000 1.160 467 I CA 1.293 62.483 61.300 -0.183 0.000 1.445 467 I CB -0.603 37.154 38.000 -0.405 0.000 1.086 467 I HN 0.241 nan 8.210 nan 0.000 0.433 468 F N 0.913 120.931 119.950 0.113 0.000 2.708 468 F HA 0.326 4.845 4.527 -0.013 0.000 0.300 468 F C 2.048 177.935 175.800 0.145 0.000 1.118 468 F CA -0.639 57.494 58.000 0.222 0.000 1.307 468 F CB 0.163 39.291 39.000 0.213 0.000 0.986 468 F HN -0.082 nan 8.300 nan 0.000 0.522 469 K N 1.130 121.647 120.400 0.196 0.000 2.020 469 K HA -0.223 4.089 4.320 -0.013 0.000 0.212 469 K C 1.370 178.032 176.600 0.103 0.000 1.050 469 K CA 2.266 58.610 56.287 0.095 0.000 0.929 469 K CB -0.037 32.483 32.500 0.033 0.000 0.714 469 K HN 0.145 nan 8.250 nan 0.000 0.443 470 D N -0.072 120.364 120.400 0.059 0.000 2.123 470 D HA -0.177 4.455 4.640 -0.013 0.000 0.196 470 D C 1.844 178.064 176.300 -0.133 0.000 0.992 470 D CA 1.348 55.255 54.000 -0.154 0.000 0.833 470 D CB -0.366 40.242 40.800 -0.318 0.000 0.954 470 D HN 0.256 nan 8.370 nan 0.000 0.455 471 F N -0.185 119.842 119.950 0.128 0.000 2.186 471 F HA -0.149 4.370 4.527 -0.013 0.000 0.299 471 F C 2.375 178.343 175.800 0.279 0.000 1.090 471 F CA 0.549 58.707 58.000 0.264 0.000 1.307 471 F CB -0.699 38.518 39.000 0.361 0.000 1.019 471 F HN -0.033 nan 8.300 nan 0.000 0.489 472 Y N 1.381 121.681 120.300 0.001 0.000 2.181 472 Y HA -0.211 4.332 4.550 -0.013 0.000 0.288 472 Y C 2.154 178.047 175.900 -0.011 0.000 1.146 472 Y CA 1.690 59.602 58.100 -0.313 0.000 1.164 472 Y CB -0.637 37.430 38.460 -0.656 0.000 0.982 472 Y HN 0.127 nan 8.280 nan 0.000 0.515 473 E N -0.427 119.720 120.200 -0.087 0.000 2.153 473 E HA -0.195 4.147 4.350 -0.013 0.000 0.194 473 E C 1.985 178.646 176.600 0.101 0.000 0.988 473 E CA 1.154 57.517 56.400 -0.061 0.000 0.811 473 E CB -0.252 29.458 29.700 0.017 0.000 0.746 473 E HN 0.432 nan 8.360 nan 0.000 0.466 474 L N 0.927 122.246 121.223 0.160 0.000 2.044 474 L HA -0.051 4.281 4.340 -0.013 0.000 0.205 474 L C 0.245 177.195 176.870 0.134 0.000 1.075 474 L CA 1.701 56.668 54.840 0.212 0.000 0.747 474 L CB 0.366 42.545 42.059 0.200 0.000 0.903 474 L HN -0.108 nan 8.230 nan 0.000 0.435 475 E N -0.127 120.152 120.200 0.132 0.000 3.108 475 E HA 0.186 4.528 4.350 -0.013 0.000 0.228 475 E C -1.991 174.555 176.600 -0.089 0.000 1.176 475 E CA -1.273 55.123 56.400 -0.008 0.000 0.881 475 E CB 0.847 30.541 29.700 -0.010 0.000 1.354 475 E HN 0.213 nan 8.360 nan 0.000 0.400 476 P HA -0.234 nan 4.420 nan 0.000 0.218 476 P C 1.224 178.617 177.300 0.155 0.000 1.149 476 P CA 1.328 64.350 63.100 -0.130 0.000 0.817 476 P CB -0.039 31.465 31.700 -0.327 0.000 0.785 477 H N 0.249 119.418 119.070 0.165 0.000 2.489 477 H HA -0.003 4.545 4.556 -0.013 0.000 0.293 477 H C 1.752 177.164 175.328 0.139 0.000 1.066 477 H CA 1.026 57.159 56.048 0.141 0.000 1.305 477 H CB -0.657 29.160 29.762 0.092 0.000 1.386 477 H HN 0.159 nan 8.280 nan 0.000 0.551 478 K N 0.258 120.538 120.400 -0.199 0.000 2.217 478 K HA 0.016 4.328 4.320 -0.013 0.000 0.202 478 K C -0.251 176.201 176.600 -0.247 0.000 1.051 478 K CA 0.113 56.266 56.287 -0.222 0.000 0.952 478 K CB 0.125 32.383 32.500 -0.403 0.000 0.736 478 K HN 0.047 nan 8.250 nan 0.000 0.453 479 F N 1.474 121.442 119.950 0.030 0.000 2.411 479 F HA 0.257 4.776 4.527 -0.013 0.000 0.350 479 F C 0.239 176.035 175.800 -0.006 0.000 1.114 479 F CA -0.308 57.713 58.000 0.036 0.000 1.135 479 F CB 1.358 40.439 39.000 0.134 0.000 1.120 479 F HN -0.064 nan 8.300 nan 0.000 0.495 480 Q N 1.724 121.555 119.800 0.052 0.000 2.544 480 Q HA 0.343 4.675 4.340 -0.013 0.000 0.291 480 Q C -1.212 174.746 176.000 -0.070 0.000 1.068 480 Q CA -1.254 54.530 55.803 -0.032 0.000 0.785 480 Q CB 3.118 31.783 28.738 -0.122 0.000 1.481 480 Q HN 0.602 nan 8.270 nan 0.000 0.430 481 N N 0.840 119.482 118.700 -0.097 0.000 2.321 481 N HA 0.255 4.987 4.740 -0.013 0.000 0.299 481 N C -1.417 173.991 175.510 -0.170 0.000 1.048 481 N CA -0.372 52.615 53.050 -0.105 0.000 0.836 481 N CB 0.934 39.382 38.487 -0.066 0.000 1.269 481 N HN 0.275 nan 8.380 nan 0.000 0.486 482 K N 2.830 123.127 120.400 -0.171 0.000 2.675 482 K HA 0.187 4.500 4.320 -0.013 0.000 0.224 482 K C -0.899 175.700 176.600 -0.002 0.000 1.003 482 K CA -0.496 55.665 56.287 -0.209 0.000 1.034 482 K CB 1.232 33.376 32.500 -0.592 0.000 1.218 482 K HN 0.531 nan 8.250 nan 0.000 0.507 483 T N 2.144 116.717 114.554 0.031 0.000 2.902 483 T HA 0.044 4.386 4.350 -0.013 0.000 0.301 483 T C 0.773 175.595 174.700 0.204 0.000 1.012 483 T CA 0.351 62.522 62.100 0.118 0.000 1.151 483 T CB 0.208 69.146 68.868 0.116 0.000 0.946 483 T HN 0.360 nan 8.240 nan 0.000 0.542 484 N N 0.742 119.583 118.700 0.236 0.000 2.307 484 N HA 0.388 5.120 4.740 -0.013 0.000 0.230 484 N C 0.494 176.186 175.510 0.304 0.000 1.297 484 N CA -0.116 53.105 53.050 0.284 0.000 0.884 484 N CB 0.388 38.984 38.487 0.181 0.000 1.115 484 N HN 0.764 nan 8.380 nan 0.000 0.436 485 G N -0.568 108.419 108.800 0.313 0.000 2.682 485 G HA2 0.601 4.553 3.960 -0.013 0.000 0.290 485 G HA3 0.601 4.553 3.960 -0.013 0.000 0.290 485 G C -1.356 173.674 174.900 0.217 0.000 1.425 485 G CA -0.745 44.524 45.100 0.282 0.000 0.807 485 G HN 0.599 nan 8.290 nan 0.000 0.482 486 I N -2.310 118.373 120.570 0.188 0.000 2.785 486 I HA 0.750 4.912 4.170 -0.013 0.000 0.302 486 I C -0.188 176.085 176.117 0.260 0.000 1.069 486 I CA -0.929 60.475 61.300 0.174 0.000 1.045 486 I CB 2.469 40.461 38.000 -0.015 0.000 1.236 486 I HN 0.483 nan 8.210 nan 0.000 0.429 487 T N 4.397 119.161 114.554 0.350 0.000 2.779 487 T HA 0.341 4.683 4.350 -0.013 0.000 0.296 487 T C -1.405 173.416 174.700 0.202 0.000 0.938 487 T CA -1.561 60.672 62.100 0.221 0.000 1.119 487 T CB 0.707 69.650 68.868 0.124 0.000 0.891 487 T HN 0.628 nan 8.240 nan 0.000 0.526 488 P HA 0.045 nan 4.420 nan 0.000 0.233 488 P C 1.118 178.388 177.300 -0.050 0.000 1.167 488 P CA 0.326 63.465 63.100 0.065 0.000 0.770 488 P CB 0.349 32.073 31.700 0.040 0.000 0.837 489 R N 0.455 120.877 120.500 -0.130 0.000 2.064 489 R HA -0.006 4.326 4.340 -0.013 0.000 0.228 489 R C 2.685 178.863 176.300 -0.203 0.000 1.144 489 R CA 1.574 57.553 56.100 -0.202 0.000 0.932 489 R CB -1.181 29.000 30.300 -0.198 0.000 0.833 489 R HN 0.039 nan 8.270 nan 0.000 0.429 490 R N -0.848 119.472 120.500 -0.299 0.000 2.081 490 R HA -0.132 4.201 4.340 -0.013 0.000 0.235 490 R C 1.127 177.089 176.300 -0.563 0.000 1.131 490 R CA 1.730 57.495 56.100 -0.558 0.000 0.960 490 R CB -0.152 29.598 30.300 -0.917 0.000 0.856 490 R HN 0.312 nan 8.270 nan 0.000 0.436 491 W N -0.576 120.677 121.300 -0.078 0.000 3.290 491 W HA 0.162 4.814 4.660 -0.014 0.000 0.287 491 W C 1.034 177.519 176.519 -0.058 0.000 1.288 491 W CA -0.718 56.579 57.345 -0.079 0.000 1.725 491 W CB 0.447 29.863 29.460 -0.072 0.000 1.103 491 W HN 0.204 nan 8.180 nan 0.000 0.670 492 L N -2.027 119.252 121.223 0.094 0.000 2.865 492 L HA 0.197 4.529 4.340 -0.013 0.000 0.167 492 L C 1.837 178.719 176.870 0.020 0.000 1.135 492 L CA 0.804 55.690 54.840 0.077 0.000 0.895 492 L CB -0.866 41.265 42.059 0.120 0.000 1.643 492 L HN -0.247 nan 8.230 nan 0.000 0.518 493 V N 1.067 120.970 119.914 -0.018 0.000 2.287 493 V HA -0.282 3.830 4.120 -0.013 0.000 0.248 493 V C 2.450 178.514 176.094 -0.051 0.000 1.053 493 V CA 2.474 64.754 62.300 -0.035 0.000 1.027 493 V CB -0.724 31.049 31.823 -0.083 0.000 0.646 493 V HN 0.515 nan 8.190 nan 0.000 0.447 494 L N 0.480 121.643 121.223 -0.100 0.000 2.023 494 L HA -0.182 4.150 4.340 -0.013 0.000 0.205 494 L C 2.526 179.331 176.870 -0.109 0.000 1.073 494 L CA 2.418 57.184 54.840 -0.124 0.000 0.745 494 L CB -0.281 41.654 42.059 -0.207 0.000 0.900 494 L HN 0.649 nan 8.230 nan 0.000 0.435 495 C N -1.715 117.515 119.300 -0.116 0.000 2.533 495 C HA 0.184 4.636 4.460 -0.013 0.000 0.272 495 C C 1.213 176.183 174.990 -0.034 0.000 1.371 495 C CA -0.234 58.733 59.018 -0.085 0.000 1.758 495 C CB -1.012 26.678 27.740 -0.083 0.000 1.972 495 C HN 0.602 nan 8.230 nan 0.000 0.522 496 N N 1.170 119.862 118.700 -0.014 0.000 2.733 496 N HA 0.293 5.026 4.740 -0.013 0.000 0.271 496 N C -1.812 173.707 175.510 0.016 0.000 1.720 496 N CA -1.620 51.434 53.050 0.007 0.000 0.803 496 N CB 0.802 39.301 38.487 0.020 0.000 1.208 496 N HN 0.241 nan 8.380 nan 0.000 0.498 497 P HA -0.027 nan 4.420 nan 0.000 0.217 497 P C 1.434 178.749 177.300 0.026 0.000 1.150 497 P CA 0.874 63.983 63.100 0.016 0.000 0.832 497 P CB 0.231 31.933 31.700 0.004 0.000 0.787 498 G N 0.817 109.627 108.800 0.018 0.000 2.476 498 G HA2 -0.272 3.680 3.960 -0.013 0.000 0.218 498 G HA3 -0.272 3.680 3.960 -0.013 0.000 0.218 498 G C 1.540 176.452 174.900 0.020 0.000 1.164 498 G CA 0.871 45.980 45.100 0.015 0.000 0.768 498 G HN 0.251 nan 8.290 nan 0.000 0.560 499 L N 1.301 122.537 121.223 0.021 0.000 2.027 499 L HA 0.223 4.555 4.340 -0.013 0.000 0.206 499 L C 3.134 180.039 176.870 0.059 0.000 1.074 499 L CA 2.092 56.946 54.840 0.023 0.000 0.745 499 L CB -0.840 41.230 42.059 0.020 0.000 0.898 499 L HN 0.249 nan 8.230 nan 0.000 0.433 500 A N -0.718 122.155 122.820 0.090 0.000 1.917 500 A HA -0.296 4.016 4.320 -0.013 0.000 0.219 500 A C 2.262 179.946 177.584 0.166 0.000 1.182 500 A CA 2.019 54.159 52.037 0.172 0.000 0.633 500 A CB -0.743 18.344 19.000 0.145 0.000 0.819 500 A HN 0.562 nan 8.150 nan 0.000 0.448 501 E N 0.488 120.747 120.200 0.097 0.000 2.072 501 E HA -0.142 4.201 4.350 -0.013 0.000 0.191 501 E C 1.798 178.441 176.600 0.072 0.000 0.985 501 E CA 1.497 57.944 56.400 0.078 0.000 0.801 501 E CB -0.521 29.207 29.700 0.047 0.000 0.750 501 E HN 0.759 nan 8.360 nan 0.000 0.452 502 I N -1.846 118.764 120.570 0.068 0.000 2.493 502 I HA -0.098 4.064 4.170 -0.013 0.000 0.254 502 I C 2.116 178.304 176.117 0.119 0.000 1.160 502 I CA 1.034 62.388 61.300 0.091 0.000 1.445 502 I CB -0.301 37.747 38.000 0.081 0.000 1.086 502 I HN 0.001 nan 8.210 nan 0.000 0.433 503 I N 1.878 122.495 120.570 0.079 0.000 2.286 503 I HA -0.172 3.990 4.170 -0.013 0.000 0.245 503 I C 2.978 179.050 176.117 -0.076 0.000 1.104 503 I CA 1.285 62.547 61.300 -0.063 0.000 1.397 503 I CB -0.484 37.360 38.000 -0.260 0.000 1.072 503 I HN 0.299 nan 8.210 nan 0.000 0.417 504 A N 0.434 123.311 122.820 0.095 0.000 1.933 504 A HA -0.235 4.078 4.320 -0.013 0.000 0.218 504 A C 2.177 179.792 177.584 0.052 0.000 1.175 504 A CA 1.674 53.810 52.037 0.165 0.000 0.628 504 A CB -0.597 18.521 19.000 0.197 0.000 0.814 504 A HN 0.443 nan 8.150 nan 0.000 0.444 505 E N -0.684 119.527 120.200 0.018 0.000 2.085 505 E HA -0.220 4.122 4.350 -0.013 0.000 0.194 505 E C 2.318 178.879 176.600 -0.065 0.000 0.994 505 E CA 1.276 57.670 56.400 -0.010 0.000 0.801 505 E CB -0.093 29.607 29.700 0.001 0.000 0.743 505 E HN 0.407 nan 8.360 nan 0.000 0.453 506 R N 0.262 120.658 120.500 -0.173 0.000 2.057 506 R HA 0.013 4.345 4.340 -0.013 0.000 0.224 506 R C 2.385 178.586 176.300 -0.165 0.000 1.136 506 R CA 1.071 56.984 56.100 -0.312 0.000 0.968 506 R CB -0.590 29.179 30.300 -0.885 0.000 0.863 506 R HN 0.369 nan 8.270 nan 0.000 0.433 507 I N -3.121 117.369 120.570 -0.134 0.000 4.025 507 I HA 0.436 4.598 4.170 -0.013 0.000 0.336 507 I C 0.521 176.672 176.117 0.056 0.000 1.390 507 I CA 0.153 61.432 61.300 -0.034 0.000 1.099 507 I CB 0.613 38.574 38.000 -0.065 0.000 1.049 507 I HN 0.190 nan 8.210 nan 0.000 0.394 508 G N 2.058 110.901 108.800 0.071 0.000 2.681 508 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.220 508 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.220 508 G C 0.054 175.071 174.900 0.196 0.000 1.353 508 G CA 0.314 45.477 45.100 0.104 0.000 0.872 508 G HN 0.448 nan 8.290 nan 0.000 0.557 509 E N -0.515 119.753 120.200 0.113 0.000 2.473 509 E HA 0.078 4.420 4.350 -0.013 0.000 0.204 509 E C 1.882 178.423 176.600 -0.099 0.000 0.994 509 E CA -0.028 56.381 56.400 0.015 0.000 0.945 509 E CB 0.230 29.934 29.700 0.006 0.000 0.990 509 E HN 0.447 nan 8.360 nan 0.000 0.493 510 E N 0.498 120.709 120.200 0.018 0.000 2.338 510 E HA -0.166 4.176 4.350 -0.013 0.000 0.197 510 E C 1.606 178.195 176.600 -0.018 0.000 1.007 510 E CA 0.692 57.097 56.400 0.008 0.000 0.849 510 E CB 0.043 29.772 29.700 0.048 0.000 0.774 510 E HN 0.500 nan 8.360 nan 0.000 0.506 511 Y N -1.272 119.031 120.300 0.006 0.000 2.421 511 Y HA -0.027 4.516 4.550 -0.012 0.000 0.292 511 Y C 1.934 177.812 175.900 -0.037 0.000 1.136 511 Y CA 0.574 58.669 58.100 -0.008 0.000 1.255 511 Y CB -0.712 37.745 38.460 -0.005 0.000 0.991 511 Y HN -0.093 nan 8.280 nan 0.000 0.552 512 I N 0.956 121.072 120.570 -0.757 0.000 2.361 512 I HA -0.229 3.933 4.170 -0.013 0.000 0.251 512 I C 1.689 177.561 176.117 -0.409 0.000 1.133 512 I CA 1.786 62.686 61.300 -0.668 0.000 1.413 512 I CB -0.359 37.146 38.000 -0.824 0.000 1.073 512 I HN 0.469 nan 8.210 nan 0.000 0.424 513 S N -2.064 113.499 115.700 -0.229 0.000 2.663 513 S HA 0.180 4.642 4.470 -0.013 0.000 0.243 513 S C 0.131 174.719 174.600 -0.020 0.000 1.009 513 S CA -0.488 57.657 58.200 -0.092 0.000 0.988 513 S CB 0.288 63.505 63.200 0.029 0.000 0.896 513 S HN 0.289 nan 8.310 nan 0.000 0.502 514 D N 0.695 121.091 120.400 -0.007 0.000 2.823 514 D HA 0.247 4.879 4.640 -0.013 0.000 0.255 514 D C 0.333 176.678 176.300 0.075 0.000 1.257 514 D CA -0.388 53.632 54.000 0.033 0.000 0.803 514 D CB 0.401 41.224 40.800 0.039 0.000 1.384 514 D HN 0.098 nan 8.370 nan 0.000 0.541 515 L N 1.176 122.444 121.223 0.075 0.000 2.353 515 L HA 0.015 4.347 4.340 -0.013 0.000 0.220 515 L C 1.432 178.355 176.870 0.089 0.000 1.133 515 L CA 1.508 56.421 54.840 0.122 0.000 0.798 515 L CB -0.058 42.066 42.059 0.108 0.000 0.922 515 L HN 0.281 nan 8.230 nan 0.000 0.445 516 D N -0.704 119.725 120.400 0.049 0.000 2.265 516 D HA -0.222 4.411 4.640 -0.013 0.000 0.208 516 D C 1.862 178.183 176.300 0.035 0.000 0.977 516 D CA 0.862 54.877 54.000 0.024 0.000 0.871 516 D CB 0.070 40.872 40.800 0.003 0.000 0.925 516 D HN 0.566 nan 8.370 nan 0.000 0.485 517 Q N 0.027 119.865 119.800 0.063 0.000 2.364 517 Q HA -0.053 4.279 4.340 -0.013 0.000 0.209 517 Q C 2.310 178.327 176.000 0.028 0.000 0.977 517 Q CA 0.238 56.079 55.803 0.063 0.000 0.885 517 Q CB 0.019 28.825 28.738 0.112 0.000 0.941 517 Q HN 0.393 nan 8.270 nan 0.000 0.464 518 L N 0.185 121.417 121.223 0.014 0.000 2.261 518 L HA -0.200 4.132 4.340 -0.013 0.000 0.216 518 L C 2.276 179.139 176.870 -0.012 0.000 1.114 518 L CA 0.898 55.710 54.840 -0.046 0.000 0.777 518 L CB -0.386 41.656 42.059 -0.029 0.000 0.910 518 L HN 0.225 nan 8.230 nan 0.000 0.440 519 R N 0.408 120.913 120.500 0.009 0.000 2.139 519 R HA -0.193 4.139 4.340 -0.013 0.000 0.243 519 R C 2.082 178.391 176.300 0.016 0.000 1.145 519 R CA 1.150 57.259 56.100 0.014 0.000 0.976 519 R CB -0.289 30.017 30.300 0.009 0.000 0.866 519 R HN 0.411 nan 8.270 nan 0.000 0.449 520 K N 0.653 121.062 120.400 0.015 0.000 2.360 520 K HA -0.111 4.201 4.320 -0.013 0.000 0.201 520 K C 1.855 178.507 176.600 0.086 0.000 1.046 520 K CA 0.858 57.166 56.287 0.035 0.000 0.940 520 K CB -0.098 32.425 32.500 0.038 0.000 0.748 520 K HN 0.237 nan 8.250 nan 0.000 0.465 521 L N 0.426 121.675 121.223 0.044 0.000 2.465 521 L HA -0.116 4.216 4.340 -0.013 0.000 0.224 521 L C 1.784 178.732 176.870 0.131 0.000 1.145 521 L CA -0.008 54.871 54.840 0.065 0.000 0.834 521 L CB -0.213 41.836 42.059 -0.016 0.000 0.944 521 L HN 0.114 nan 8.230 nan 0.000 0.451 522 L N 0.090 121.357 121.223 0.074 0.000 2.191 522 L HA -0.167 4.165 4.340 -0.013 0.000 0.212 522 L C 2.655 179.528 176.870 0.005 0.000 1.103 522 L CA 1.817 56.686 54.840 0.048 0.000 0.769 522 L CB -0.895 41.176 42.059 0.020 0.000 0.908 522 L HN 0.341 nan 8.230 nan 0.000 0.438 523 S N -2.728 112.935 115.700 -0.062 0.000 2.607 523 S HA -0.061 4.401 4.470 -0.013 0.000 0.224 523 S C 1.127 175.470 174.600 -0.428 0.000 0.969 523 S CA 0.191 58.248 58.200 -0.239 0.000 0.927 523 S CB -0.542 62.470 63.200 -0.314 0.000 0.772 523 S HN 0.463 nan 8.310 nan 0.000 0.533 524 Y N -0.455 119.792 120.300 -0.088 0.000 2.612 524 Y HA 0.436 4.984 4.550 -0.003 0.000 0.250 524 Y C 1.849 177.803 175.900 0.089 0.000 1.175 524 Y CA -0.568 57.485 58.100 -0.079 0.000 1.205 524 Y CB 0.235 38.462 38.460 -0.389 0.000 1.201 524 Y HN 0.250 nan 8.280 nan 0.000 0.532 525 V N 0.424 120.437 119.914 0.165 0.000 2.626 525 V HA -0.192 3.921 4.120 -0.013 0.000 0.252 525 V C 0.849 177.014 176.094 0.119 0.000 1.067 525 V CA 2.128 64.521 62.300 0.155 0.000 1.081 525 V CB 0.007 31.883 31.823 0.089 0.000 0.686 525 V HN 0.342 nan 8.190 nan 0.000 0.468 526 D N -0.494 119.956 120.400 0.083 0.000 2.424 526 D HA 0.129 4.761 4.640 -0.013 0.000 0.220 526 D C 0.244 176.591 176.300 0.079 0.000 1.150 526 D CA -0.013 54.025 54.000 0.062 0.000 0.831 526 D CB 0.135 40.950 40.800 0.024 0.000 0.981 526 D HN 0.443 nan 8.370 nan 0.000 0.500 527 D N 1.464 121.948 120.400 0.141 0.000 2.339 527 D HA -0.009 4.623 4.640 -0.013 0.000 0.241 527 D C 1.116 177.522 176.300 0.177 0.000 1.183 527 D CA -0.076 54.027 54.000 0.171 0.000 0.859 527 D CB 1.636 42.609 40.800 0.288 0.000 1.067 527 D HN -0.179 nan 8.370 nan 0.000 0.484 528 E N 3.198 123.466 120.200 0.114 0.000 2.110 528 E HA -0.155 4.188 4.350 -0.013 0.000 0.193 528 E C 1.740 178.395 176.600 0.092 0.000 0.988 528 E CA 1.410 57.861 56.400 0.085 0.000 0.804 528 E CB 0.035 29.768 29.700 0.055 0.000 0.745 528 E HN 0.593 nan 8.360 nan 0.000 0.458 529 A N -0.363 122.528 122.820 0.118 0.000 1.898 529 A HA -0.121 4.191 4.320 -0.013 0.000 0.216 529 A C 2.205 179.880 177.584 0.152 0.000 1.181 529 A CA 1.237 53.342 52.037 0.114 0.000 0.620 529 A CB -0.911 18.158 19.000 0.115 0.000 0.819 529 A HN 0.444 nan 8.150 nan 0.000 0.442 530 F N 0.448 120.421 119.950 0.037 0.000 2.102 530 F HA -0.154 4.366 4.527 -0.012 0.000 0.298 530 F C 2.054 177.864 175.800 0.017 0.000 1.105 530 F CA 1.626 59.634 58.000 0.013 0.000 1.239 530 F CB -0.130 38.890 39.000 0.032 0.000 0.991 530 F HN 0.162 nan 8.300 nan 0.000 0.474 531 I N 0.365 120.958 120.570 0.039 0.000 2.151 531 I HA -0.394 3.768 4.170 -0.013 0.000 0.243 531 I C 2.597 178.660 176.117 -0.091 0.000 1.080 531 I CA 1.933 63.202 61.300 -0.051 0.000 1.339 531 I CB -0.569 37.449 38.000 0.030 0.000 1.039 531 I HN 0.126 nan 8.210 nan 0.000 0.409 532 R N 0.852 121.327 120.500 -0.042 0.000 2.081 532 R HA -0.193 4.139 4.340 -0.013 0.000 0.235 532 R C 1.870 178.125 176.300 -0.075 0.000 1.131 532 R CA 1.961 58.035 56.100 -0.043 0.000 0.960 532 R CB -0.173 30.122 30.300 -0.010 0.000 0.856 532 R HN 0.294 nan 8.270 nan 0.000 0.436 533 D N -0.157 120.184 120.400 -0.099 0.000 2.117 533 D HA -0.111 4.521 4.640 -0.013 0.000 0.198 533 D C 1.977 178.158 176.300 -0.199 0.000 0.982 533 D CA 1.241 55.169 54.000 -0.119 0.000 0.828 533 D CB -0.159 40.596 40.800 -0.074 0.000 0.967 533 D HN 0.094 nan 8.370 nan 0.000 0.464 534 V N 1.570 121.266 119.914 -0.364 0.000 2.287 534 V HA -0.262 3.850 4.120 -0.013 0.000 0.248 534 V C 2.547 178.545 176.094 -0.159 0.000 1.053 534 V CA 1.970 64.062 62.300 -0.347 0.000 1.027 534 V CB -0.849 30.673 31.823 -0.501 0.000 0.646 534 V HN 0.189 nan 8.190 nan 0.000 0.447 535 A N -0.536 122.212 122.820 -0.119 0.000 1.933 535 A HA -0.253 4.059 4.320 -0.013 0.000 0.218 535 A C 2.356 179.904 177.584 -0.060 0.000 1.175 535 A CA 2.102 54.102 52.037 -0.061 0.000 0.628 535 A CB -0.473 18.495 19.000 -0.054 0.000 0.814 535 A HN 0.539 nan 8.150 nan 0.000 0.444 536 K N -0.236 120.125 120.400 -0.066 0.000 2.057 536 K HA -0.080 4.232 4.320 -0.013 0.000 0.206 536 K C 1.817 178.392 176.600 -0.041 0.000 1.050 536 K CA 1.539 57.797 56.287 -0.049 0.000 0.935 536 K CB -0.255 32.219 32.500 -0.043 0.000 0.715 536 K HN 0.223 nan 8.250 nan 0.000 0.439 537 V N 1.746 121.631 119.914 -0.048 0.000 2.343 537 V HA -0.243 3.869 4.120 -0.013 0.000 0.247 537 V C 2.378 178.460 176.094 -0.021 0.000 1.051 537 V CA 1.969 64.249 62.300 -0.032 0.000 1.036 537 V CB -0.453 31.346 31.823 -0.041 0.000 0.654 537 V HN 0.349 nan 8.190 nan 0.000 0.451 538 K N 0.339 120.725 120.400 -0.024 0.000 2.057 538 K HA -0.226 4.086 4.320 -0.013 0.000 0.207 538 K C 2.158 178.735 176.600 -0.038 0.000 1.049 538 K CA 1.746 58.026 56.287 -0.012 0.000 0.931 538 K CB -0.486 32.022 32.500 0.013 0.000 0.714 538 K HN 0.373 nan 8.250 nan 0.000 0.440 539 Q N 0.908 120.679 119.800 -0.049 0.000 2.084 539 Q HA -0.101 4.231 4.340 -0.013 0.000 0.202 539 Q C 1.673 177.653 176.000 -0.034 0.000 0.978 539 Q CA 1.952 57.717 55.803 -0.064 0.000 0.844 539 Q CB -0.041 28.662 28.738 -0.058 0.000 0.898 539 Q HN 0.499 nan 8.270 nan 0.000 0.426 540 E N -0.482 119.710 120.200 -0.012 0.000 2.077 540 E HA -0.160 4.182 4.350 -0.013 0.000 0.193 540 E C 1.727 178.350 176.600 0.038 0.000 0.989 540 E CA 0.998 57.405 56.400 0.012 0.000 0.800 540 E CB -0.095 29.611 29.700 0.010 0.000 0.746 540 E HN 0.390 nan 8.360 nan 0.000 0.452 541 N N 1.024 119.744 118.700 0.033 0.000 2.166 541 N HA -0.134 4.598 4.740 -0.013 0.000 0.186 541 N C 1.491 177.075 175.510 0.124 0.000 1.019 541 N CA 1.060 54.149 53.050 0.065 0.000 0.856 541 N CB -0.069 38.441 38.487 0.039 0.000 0.993 541 N HN 0.143 nan 8.380 nan 0.000 0.426 542 K N 0.451 120.885 120.400 0.057 0.000 2.062 542 K HA 0.061 4.373 4.320 -0.013 0.000 0.205 542 K C 2.090 178.801 176.600 0.185 0.000 1.051 542 K CA 0.549 56.873 56.287 0.062 0.000 0.941 542 K CB -0.094 32.182 32.500 -0.373 0.000 0.719 542 K HN 0.095 nan 8.250 nan 0.000 0.440 543 L N 1.226 122.508 121.223 0.100 0.000 2.017 543 L HA -0.193 4.139 4.340 -0.013 0.000 0.208 543 L C 2.621 179.583 176.870 0.153 0.000 1.073 543 L CA 1.313 56.222 54.840 0.114 0.000 0.745 543 L CB -0.349 41.748 42.059 0.064 0.000 0.894 543 L HN 0.168 nan 8.230 nan 0.000 0.432 544 K N -0.259 120.235 120.400 0.156 0.000 2.063 544 K HA -0.244 4.068 4.320 -0.013 0.000 0.208 544 K C 2.171 178.924 176.600 0.254 0.000 1.048 544 K CA 1.673 58.063 56.287 0.172 0.000 0.928 544 K CB -0.133 32.453 32.500 0.144 0.000 0.713 544 K HN 0.103 nan 8.250 nan 0.000 0.442 545 F N 0.958 121.008 119.950 0.165 0.000 2.234 545 F HA 0.042 4.561 4.527 -0.013 0.000 0.296 545 F C 1.976 177.925 175.800 0.249 0.000 1.089 545 F CA 0.980 59.105 58.000 0.209 0.000 1.343 545 F CB -0.326 38.797 39.000 0.206 0.000 1.040 545 F HN 0.055 nan 8.300 nan 0.000 0.498 546 A N 0.211 123.182 122.820 0.252 0.000 1.978 546 A HA -0.076 4.236 4.320 -0.013 0.000 0.220 546 A C 2.347 179.952 177.584 0.036 0.000 1.170 546 A CA 1.725 53.844 52.037 0.137 0.000 0.636 546 A CB -1.391 17.757 19.000 0.246 0.000 0.810 546 A HN 0.435 nan 8.150 nan 0.000 0.448 547 A N -2.020 120.844 122.820 0.074 0.000 2.016 547 A HA 0.037 4.349 4.320 -0.013 0.000 0.217 547 A C 2.037 179.638 177.584 0.027 0.000 1.162 547 A CA 1.252 53.322 52.037 0.054 0.000 0.662 547 A CB -0.637 18.412 19.000 0.082 0.000 0.812 547 A HN 0.695 nan 8.150 nan 0.000 0.450 548 Y N 0.490 120.728 120.300 -0.104 0.000 2.242 548 Y HA -0.114 4.429 4.550 -0.013 0.000 0.291 548 Y C 1.886 177.690 175.900 -0.161 0.000 1.137 548 Y CA 1.653 59.678 58.100 -0.125 0.000 1.181 548 Y CB -0.133 38.245 38.460 -0.136 0.000 0.989 548 Y HN 0.207 nan 8.280 nan 0.000 0.527 549 L N -0.062 121.013 121.223 -0.247 0.000 2.046 549 L HA -0.198 4.134 4.340 -0.013 0.000 0.208 549 L C 2.318 179.072 176.870 -0.193 0.000 1.077 549 L CA 1.702 56.394 54.840 -0.247 0.000 0.747 549 L CB -0.486 41.393 42.059 -0.300 0.000 0.896 549 L HN 0.321 nan 8.230 nan 0.000 0.432 550 E N -0.193 119.901 120.200 -0.177 0.000 2.028 550 E HA -0.183 4.159 4.350 -0.013 0.000 0.191 550 E C 2.347 178.851 176.600 -0.161 0.000 0.988 550 E CA 0.854 57.147 56.400 -0.178 0.000 0.799 550 E CB 0.003 29.662 29.700 -0.068 0.000 0.755 550 E HN 0.378 nan 8.360 nan 0.000 0.447 551 R N 0.576 120.981 120.500 -0.158 0.000 2.081 551 R HA -0.142 4.190 4.340 -0.013 0.000 0.235 551 R C 1.825 177.971 176.300 -0.257 0.000 1.131 551 R CA 1.271 57.273 56.100 -0.163 0.000 0.960 551 R CB -0.005 30.220 30.300 -0.125 0.000 0.856 551 R HN 0.012 nan 8.270 nan 0.000 0.436 552 E N -1.882 118.065 120.200 -0.422 0.000 2.460 552 E HA 0.036 4.378 4.350 -0.013 0.000 0.200 552 E C 0.070 176.193 176.600 -0.795 0.000 1.011 552 E CA 0.538 56.563 56.400 -0.626 0.000 0.912 552 E CB 0.601 29.759 29.700 -0.903 0.000 0.953 552 E HN 0.321 nan 8.360 nan 0.000 0.494 553 Y N -0.700 119.441 120.300 -0.265 0.000 2.666 553 Y HA 0.236 4.779 4.550 -0.013 0.000 0.260 553 Y C 0.098 175.892 175.900 -0.176 0.000 1.089 553 Y CA -0.520 57.470 58.100 -0.183 0.000 1.246 553 Y CB 0.936 39.294 38.460 -0.170 0.000 1.353 553 Y HN -0.277 nan 8.280 nan 0.000 0.558 554 K N 0.408 120.738 120.400 -0.116 0.000 3.069 554 K HA -0.138 4.175 4.320 -0.013 0.000 0.267 554 K C -0.364 176.007 176.600 -0.381 0.000 1.082 554 K CA 0.896 57.058 56.287 -0.208 0.000 0.782 554 K CB -2.353 30.095 32.500 -0.087 0.000 1.230 554 K HN 0.268 nan 8.250 nan 0.000 0.488 555 V N -1.885 117.818 119.914 -0.352 0.000 2.472 555 V HA 0.563 4.675 4.120 -0.013 0.000 0.290 555 V C 0.237 176.060 176.094 -0.452 0.000 1.037 555 V CA -0.814 61.275 62.300 -0.351 0.000 0.908 555 V CB 1.570 33.302 31.823 -0.152 0.000 0.985 555 V HN 0.261 nan 8.190 nan 0.000 0.454 556 H N 4.917 123.971 119.070 -0.027 0.000 2.481 556 H HA 0.800 5.348 4.556 -0.013 0.000 0.333 556 H C -0.073 175.242 175.328 -0.022 0.000 1.066 556 H CA -0.358 55.679 56.048 -0.019 0.000 1.209 556 H CB 1.655 31.411 29.762 -0.009 0.000 1.445 556 H HN 0.949 nan 8.280 nan 0.000 0.488 557 I N -0.508 120.121 120.570 0.100 0.000 2.730 557 I HA 0.468 4.630 4.170 -0.013 0.000 0.298 557 I C -0.541 175.655 176.117 0.132 0.000 1.089 557 I CA -1.347 60.000 61.300 0.078 0.000 1.041 557 I CB 2.229 40.239 38.000 0.016 0.000 1.235 557 I HN 0.355 nan 8.210 nan 0.000 0.423 558 N N 5.363 124.143 118.700 0.132 0.000 2.401 558 N HA 0.364 5.097 4.740 -0.013 0.000 0.255 558 N C -1.989 173.660 175.510 0.231 0.000 1.110 558 N CA -2.235 50.899 53.050 0.141 0.000 0.949 558 N CB 0.975 39.518 38.487 0.094 0.000 1.110 558 N HN 0.397 nan 8.380 nan 0.000 0.490 559 P HA 0.080 nan 4.420 nan 0.000 0.237 559 P C -0.092 177.187 177.300 -0.034 0.000 1.178 559 P CA 0.807 63.980 63.100 0.122 0.000 0.766 559 P CB 0.236 31.986 31.700 0.083 0.000 0.876 560 N N -0.973 117.745 118.700 0.031 0.000 2.422 560 N HA -0.014 4.718 4.740 -0.013 0.000 0.181 560 N C 0.427 175.969 175.510 0.054 0.000 1.080 560 N CA -0.005 53.055 53.050 0.017 0.000 0.893 560 N CB -0.039 38.468 38.487 0.033 0.000 0.973 560 N HN 0.133 nan 8.380 nan 0.000 0.456 561 S N 0.240 115.985 115.700 0.075 0.000 2.600 561 S HA 0.137 4.599 4.470 -0.013 0.000 0.265 561 S C 0.109 174.680 174.600 -0.048 0.000 1.325 561 S CA -0.880 57.351 58.200 0.052 0.000 1.002 561 S CB 0.947 64.210 63.200 0.106 0.000 0.921 561 S HN 0.208 nan 8.310 nan 0.000 0.554 562 L N 2.182 123.206 121.223 -0.332 0.000 2.418 562 L HA 0.345 4.678 4.340 -0.013 0.000 0.274 562 L C -0.810 176.039 176.870 -0.034 0.000 1.135 562 L CA -0.481 53.980 54.840 -0.631 0.000 0.870 562 L CB -0.227 41.173 42.059 -1.098 0.000 1.154 562 L HN 0.708 nan 8.230 nan 0.000 0.462 563 F N 4.332 124.151 119.950 -0.219 0.000 2.423 563 F HA 0.091 4.611 4.527 -0.012 0.000 0.356 563 F C 0.458 176.195 175.800 -0.105 0.000 1.170 563 F CA -0.801 57.140 58.000 -0.098 0.000 1.163 563 F CB 0.465 39.457 39.000 -0.013 0.000 1.318 563 F HN 0.531 nan 8.300 nan 0.000 0.569 564 D N 4.817 125.217 120.400 -0.001 0.000 2.396 564 D HA 0.220 4.853 4.640 -0.013 0.000 0.225 564 D C -1.087 175.155 176.300 -0.098 0.000 1.121 564 D CA -0.036 53.922 54.000 -0.070 0.000 0.853 564 D CB 1.439 42.182 40.800 -0.094 0.000 1.043 564 D HN 0.258 nan 8.370 nan 0.000 0.500 565 V N 3.752 123.591 119.914 -0.125 0.000 2.588 565 V HA 0.502 4.614 4.120 -0.013 0.000 0.304 565 V C -1.417 174.526 176.094 -0.252 0.000 1.042 565 V CA -0.643 61.565 62.300 -0.153 0.000 0.877 565 V CB 1.816 33.603 31.823 -0.060 0.000 0.996 565 V HN 0.552 nan 8.190 nan 0.000 0.425 566 Q N 5.092 124.762 119.800 -0.217 0.000 2.401 566 Q HA 0.642 4.974 4.340 -0.013 0.000 0.260 566 Q C -1.392 174.449 176.000 -0.265 0.000 1.034 566 Q CA -0.620 55.042 55.803 -0.234 0.000 0.737 566 Q CB 1.779 30.410 28.738 -0.177 0.000 1.227 566 Q HN 1.021 nan 8.270 nan 0.000 0.488 567 V N 1.615 121.359 119.914 -0.283 0.000 2.448 567 V HA 0.866 4.978 4.120 -0.013 0.000 0.295 567 V C -0.893 174.945 176.094 -0.427 0.000 1.025 567 V CA -0.539 61.415 62.300 -0.576 0.000 0.859 567 V CB 1.146 32.381 31.823 -0.980 0.000 0.988 567 V HN 0.825 nan 8.190 nan 0.000 0.431 568 K N 2.500 122.693 120.400 -0.346 0.000 3.040 568 K HA 0.411 4.723 4.320 -0.013 0.000 0.300 568 K C -1.225 175.416 176.600 0.068 0.000 1.092 568 K CA -1.210 55.074 56.287 -0.004 0.000 0.831 568 K CB 0.763 33.248 32.500 -0.024 0.000 1.469 568 K HN 0.444 nan 8.250 nan 0.000 0.365 569 R N 0.924 121.533 120.500 0.180 0.000 2.698 569 R HA 0.141 4.473 4.340 -0.013 0.000 0.266 569 R C 0.329 176.694 176.300 0.108 0.000 1.026 569 R CA -0.281 55.936 56.100 0.194 0.000 1.102 569 R CB -0.159 30.334 30.300 0.321 0.000 0.978 569 R HN 0.480 nan 8.270 nan 0.000 0.436 570 I N 5.052 125.606 120.570 -0.027 0.000 2.421 570 I HA 0.113 4.275 4.170 -0.013 0.000 0.291 570 I C 0.718 176.619 176.117 -0.360 0.000 1.089 570 I CA 0.514 61.730 61.300 -0.139 0.000 1.354 570 I CB -0.378 37.549 38.000 -0.122 0.000 1.413 570 I HN 0.266 nan 8.210 nan 0.000 0.513 571 H N 4.496 123.491 119.070 -0.125 0.000 2.930 571 H HA 0.246 4.794 4.556 -0.013 0.000 0.371 571 H C 0.462 175.688 175.328 -0.171 0.000 1.169 571 H CA -0.521 55.504 56.048 -0.038 0.000 1.157 571 H CB 2.136 31.826 29.762 -0.120 0.000 1.789 571 H HN 0.480 nan 8.280 nan 0.000 0.547 572 E N 1.095 121.366 120.200 0.117 0.000 2.085 572 E HA -0.232 4.110 4.350 -0.013 0.000 0.194 572 E C 1.532 177.910 176.600 -0.370 0.000 0.994 572 E CA 1.789 58.194 56.400 0.008 0.000 0.801 572 E CB -0.053 29.850 29.700 0.338 0.000 0.743 572 E HN 0.587 nan 8.360 nan 0.000 0.453 573 Y N 0.675 120.475 120.300 -0.832 0.000 2.352 573 Y HA -0.036 4.506 4.550 -0.013 0.000 0.292 573 Y C 1.481 177.109 175.900 -0.453 0.000 1.136 573 Y CA 0.851 58.246 58.100 -1.175 0.000 1.227 573 Y CB -0.092 37.684 38.460 -1.140 0.000 0.991 573 Y HN -0.197 nan 8.280 nan 0.000 0.545 574 K N 0.741 120.643 120.400 -0.829 0.000 2.418 574 K HA 0.087 4.399 4.320 -0.013 0.000 0.195 574 K C 0.138 176.558 176.600 -0.300 0.000 1.035 574 K CA 0.423 56.360 56.287 -0.583 0.000 1.003 574 K CB -0.022 32.139 32.500 -0.564 0.000 0.793 574 K HN 0.260 nan 8.250 nan 0.000 0.494 575 R N 0.526 120.878 120.500 -0.247 0.000 3.333 575 R HA -0.241 4.091 4.340 -0.013 0.000 0.256 575 R C 0.340 176.556 176.300 -0.139 0.000 1.010 575 R CA 0.236 56.245 56.100 -0.152 0.000 0.680 575 R CB -1.924 28.303 30.300 -0.121 0.000 1.102 575 R HN 0.307 nan 8.270 nan 0.000 0.440 576 Q N 0.394 120.111 119.800 -0.138 0.000 2.197 576 Q HA -0.116 4.216 4.340 -0.013 0.000 0.207 576 Q C 2.046 177.994 176.000 -0.086 0.000 0.984 576 Q CA 1.718 57.456 55.803 -0.108 0.000 0.869 576 Q CB -0.046 28.632 28.738 -0.101 0.000 0.906 576 Q HN 0.589 nan 8.270 nan 0.000 0.426 577 L N -0.596 120.576 121.223 -0.085 0.000 2.083 577 L HA -0.198 4.134 4.340 -0.013 0.000 0.209 577 L C 2.068 178.931 176.870 -0.012 0.000 1.083 577 L CA 0.614 55.417 54.840 -0.062 0.000 0.752 577 L CB -0.348 41.682 42.059 -0.048 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N 0.025 121.236 121.223 -0.021 0.000 2.046 578 L HA -0.249 4.083 4.340 -0.013 0.000 0.208 578 L C 2.038 178.958 176.870 0.083 0.000 1.077 578 L CA 1.946 56.787 54.840 0.001 0.000 0.747 578 L CB -0.792 41.164 42.059 -0.172 0.000 0.896 578 L HN 0.278 nan 8.230 nan 0.000 0.432 579 N N -1.575 117.141 118.700 0.027 0.000 2.061 579 N HA -0.266 4.466 4.740 -0.013 0.000 0.193 579 N C 1.959 177.549 175.510 0.134 0.000 1.030 579 N CA 1.923 55.066 53.050 0.156 0.000 0.856 579 N CB -0.184 38.328 38.487 0.041 0.000 1.023 579 N HN 0.510 nan 8.380 nan 0.000 0.424 580 C N 0.515 119.828 119.300 0.021 0.000 2.401 580 C HA -0.108 4.344 4.460 -0.013 0.000 0.276 580 C C 2.579 177.556 174.990 -0.021 0.000 1.233 580 C CA 0.458 59.441 59.018 -0.057 0.000 1.753 580 C CB -1.318 26.334 27.740 -0.147 0.000 2.029 580 C HN 0.498 nan 8.230 nan 0.000 0.478 581 L N -0.450 120.820 121.223 0.078 0.000 2.046 581 L HA -0.189 4.143 4.340 -0.013 0.000 0.208 581 L C 2.761 179.784 176.870 0.257 0.000 1.077 581 L CA 1.802 56.733 54.840 0.151 0.000 0.747 581 L CB -1.111 41.088 42.059 0.235 0.000 0.896 581 L HN 0.581 nan 8.230 nan 0.000 0.432 582 H N 0.201 119.388 119.070 0.196 0.000 2.321 582 H HA -0.145 4.403 4.556 -0.013 0.000 0.300 582 H C 2.267 177.594 175.328 -0.002 0.000 1.087 582 H CA 2.017 58.101 56.048 0.060 0.000 1.319 582 H CB 0.278 30.006 29.762 -0.057 0.000 1.379 582 H HN 0.083 nan 8.280 nan 0.000 0.501 583 V N 1.641 121.477 119.914 -0.130 0.000 2.282 583 V HA -0.303 3.809 4.120 -0.013 0.000 0.249 583 V C 2.863 178.889 176.094 -0.113 0.000 1.057 583 V CA 2.096 64.286 62.300 -0.183 0.000 1.032 583 V CB -0.575 31.184 31.823 -0.106 0.000 0.645 583 V HN 0.396 nan 8.190 nan 0.000 0.447 584 I N -0.250 120.289 120.570 -0.051 0.000 2.286 584 I HA -0.226 3.936 4.170 -0.013 0.000 0.248 584 I C 2.512 178.684 176.117 0.092 0.000 1.115 584 I CA 1.779 63.115 61.300 0.060 0.000 1.392 584 I CB -0.723 37.288 38.000 0.018 0.000 1.065 584 I HN 0.333 nan 8.210 nan 0.000 0.418 585 T N 1.238 115.806 114.554 0.023 0.000 2.684 585 T HA -0.165 4.177 4.350 -0.013 0.000 0.267 585 T C 1.875 176.535 174.700 -0.068 0.000 1.036 585 T CA 1.262 63.368 62.100 0.011 0.000 1.148 585 T CB -0.278 68.628 68.868 0.063 0.000 0.863 585 T HN 0.077 nan 8.240 nan 0.000 0.436 586 L N 0.091 121.206 121.223 -0.180 0.000 2.012 586 L HA -0.030 4.302 4.340 -0.013 0.000 0.210 586 L C 2.112 178.947 176.870 -0.058 0.000 1.073 586 L CA 1.584 56.316 54.840 -0.180 0.000 0.748 586 L CB -1.107 40.773 42.059 -0.298 0.000 0.891 586 L HN 0.365 nan 8.230 nan 0.000 0.431 587 Y N 0.243 120.483 120.300 -0.100 0.000 2.128 587 Y HA -0.300 4.242 4.550 -0.013 0.000 0.284 587 Y C 2.454 178.337 175.900 -0.027 0.000 1.154 587 Y CA 1.877 59.957 58.100 -0.034 0.000 1.149 587 Y CB -0.095 38.389 38.460 0.041 0.000 0.976 587 Y HN 0.282 nan 8.280 nan 0.000 0.505 588 N N 0.435 119.095 118.700 -0.067 0.000 2.120 588 N HA -0.141 4.591 4.740 -0.013 0.000 0.188 588 N C 1.847 177.252 175.510 -0.176 0.000 1.024 588 N CA 1.530 54.481 53.050 -0.165 0.000 0.852 588 N CB -0.378 38.074 38.487 -0.058 0.000 1.003 588 N HN 0.430 nan 8.380 nan 0.000 0.424 589 R N 0.396 120.820 120.500 -0.127 0.000 2.096 589 R HA 0.060 4.392 4.340 -0.013 0.000 0.235 589 R C 2.232 178.451 176.300 -0.135 0.000 1.127 589 R CA 0.754 56.786 56.100 -0.114 0.000 0.968 589 R CB -0.253 29.991 30.300 -0.094 0.000 0.861 589 R HN 0.240 nan 8.270 nan 0.000 0.440 590 I N 0.915 121.385 120.570 -0.166 0.000 2.179 590 I HA -0.281 3.881 4.170 -0.013 0.000 0.242 590 I C 2.128 178.128 176.117 -0.196 0.000 1.088 590 I CA 1.240 62.438 61.300 -0.169 0.000 1.357 590 I CB -0.169 37.734 38.000 -0.161 0.000 1.051 590 I HN 0.030 nan 8.210 nan 0.000 0.409 591 K N 0.784 121.002 120.400 -0.303 0.000 2.147 591 K HA -0.186 4.126 4.320 -0.013 0.000 0.205 591 K C 2.008 178.508 176.600 -0.165 0.000 1.049 591 K CA 1.084 57.206 56.287 -0.275 0.000 0.936 591 K CB -0.298 31.957 32.500 -0.408 0.000 0.722 591 K HN 0.331 nan 8.250 nan 0.000 0.446 592 K N 1.169 121.481 120.400 -0.148 0.000 2.062 592 K HA -0.081 4.231 4.320 -0.013 0.000 0.205 592 K C -0.057 176.498 176.600 -0.076 0.000 1.051 592 K CA 1.022 57.249 56.287 -0.100 0.000 0.941 592 K CB 0.343 32.789 32.500 -0.090 0.000 0.719 592 K HN 0.099 nan 8.250 nan 0.000 0.440 593 E N 0.315 120.468 120.200 -0.078 0.000 3.108 593 E HA 0.128 4.470 4.350 -0.013 0.000 0.228 593 E C -2.321 174.244 176.600 -0.057 0.000 1.176 593 E CA -1.608 54.759 56.400 -0.056 0.000 0.881 593 E CB 1.714 31.387 29.700 -0.044 0.000 1.354 593 E HN 0.115 nan 8.360 nan 0.000 0.400 594 P HA -0.129 nan 4.420 nan 0.000 0.218 594 P C 0.292 177.574 177.300 -0.030 0.000 1.149 594 P CA 1.192 64.260 63.100 -0.052 0.000 0.817 594 P CB 0.208 31.882 31.700 -0.044 0.000 0.785 595 N N -1.318 117.373 118.700 -0.015 0.000 2.270 595 N HA 0.012 4.744 4.740 -0.013 0.000 0.198 595 N C 0.596 176.123 175.510 0.027 0.000 1.117 595 N CA -0.121 52.933 53.050 0.007 0.000 0.845 595 N CB 0.107 38.598 38.487 0.007 0.000 0.980 595 N HN 0.018 nan 8.380 nan 0.000 0.486 596 K N 1.184 121.593 120.400 0.015 0.000 2.174 596 K HA 0.114 4.426 4.320 -0.013 0.000 0.275 596 K C -0.882 175.757 176.600 0.065 0.000 1.015 596 K CA -0.464 55.847 56.287 0.040 0.000 0.933 596 K CB 0.576 33.080 32.500 0.007 0.000 1.025 596 K HN -0.062 nan 8.250 nan 0.000 0.463 597 F N 4.617 124.554 119.950 -0.021 0.000 2.456 597 F HA 0.207 4.726 4.527 -0.013 0.000 0.358 597 F C -0.350 175.437 175.800 -0.023 0.000 1.095 597 F CA -0.221 57.767 58.000 -0.019 0.000 1.216 597 F CB 0.645 39.637 39.000 -0.014 0.000 1.125 597 F HN 0.188 nan 8.300 nan 0.000 0.549 598 V N 4.251 123.635 119.914 -0.884 0.000 2.876 598 V HA 0.570 4.682 4.120 -0.013 0.000 0.312 598 V C -0.759 174.724 176.094 -1.019 0.000 1.085 598 V CA -1.192 60.695 62.300 -0.688 0.000 0.945 598 V CB 1.099 32.711 31.823 -0.352 0.000 1.017 598 V HN 0.555 nan 8.190 nan 0.000 0.428 599 V N 4.634 124.233 119.914 -0.524 0.000 2.485 599 V HA 0.200 4.312 4.120 -0.013 0.000 0.287 599 V C -1.860 174.069 176.094 -0.275 0.000 1.022 599 V CA -0.512 61.609 62.300 -0.298 0.000 1.067 599 V CB 0.291 32.062 31.823 -0.086 0.000 0.967 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.312 nan 4.420 nan 0.000 0.268 600 P C -0.387 176.828 177.300 -0.142 0.000 1.204 600 P CA -0.031 62.978 63.100 -0.151 0.000 0.768 600 P CB 0.530 32.188 31.700 -0.069 0.000 0.842 601 R N 1.213 121.640 120.500 -0.122 0.000 2.686 601 R HA 0.536 4.868 4.340 -0.013 0.000 0.286 601 R C -0.701 175.561 176.300 -0.063 0.000 0.969 601 R CA -0.616 55.415 56.100 -0.115 0.000 0.898 601 R CB 1.923 32.140 30.300 -0.139 0.000 1.183 601 R HN 0.311 nan 8.270 nan 0.000 0.456 602 T N 2.201 116.735 114.554 -0.033 0.000 2.770 602 T HA 0.238 4.580 4.350 -0.013 0.000 0.297 602 T C -0.243 174.369 174.700 -0.147 0.000 0.997 602 T CA -0.474 61.562 62.100 -0.108 0.000 0.949 602 T CB 1.155 69.895 68.868 -0.212 0.000 0.941 602 T HN 0.133 nan 8.240 nan 0.000 0.457 603 V N 5.900 125.737 119.914 -0.128 0.000 2.348 603 V HA 0.399 4.511 4.120 -0.013 0.000 0.270 603 V C 0.043 176.059 176.094 -0.131 0.000 1.037 603 V CA -0.424 61.807 62.300 -0.115 0.000 0.872 603 V CB 0.631 32.402 31.823 -0.086 0.000 1.002 603 V HN 0.866 nan 8.190 nan 0.000 0.464 604 M N 6.720 126.232 119.600 -0.147 0.000 2.167 604 M HA 0.604 5.076 4.480 -0.013 0.000 0.333 604 M C -0.965 175.233 176.300 -0.169 0.000 1.030 604 M CA -0.120 55.085 55.300 -0.158 0.000 0.963 604 M CB 1.823 34.323 32.600 -0.166 0.000 1.589 604 M HN 0.421 nan 8.290 nan 0.000 0.431 605 I N 1.990 122.451 120.570 -0.181 0.000 2.465 605 I HA 0.838 5.000 4.170 -0.013 0.000 0.291 605 I C 0.145 175.985 176.117 -0.462 0.000 1.014 605 I CA -0.638 60.535 61.300 -0.212 0.000 1.093 605 I CB 2.245 40.205 38.000 -0.068 0.000 1.267 605 I HN 0.785 nan 8.210 nan 0.000 0.431 606 G N 2.945 111.424 108.800 -0.535 0.000 2.690 606 G HA2 0.828 4.780 3.960 -0.013 0.000 0.293 606 G HA3 0.828 4.780 3.960 -0.013 0.000 0.293 606 G C -1.029 173.589 174.900 -0.470 0.000 1.399 606 G CA -0.762 43.857 45.100 -0.802 0.000 0.890 606 G HN 0.989 nan 8.290 nan 0.000 0.485 607 G N -0.341 108.319 108.800 -0.234 0.000 2.352 607 G HA2 0.405 4.357 3.960 -0.013 0.000 0.303 607 G HA3 0.405 4.357 3.960 -0.013 0.000 0.303 607 G C -1.280 173.764 174.900 0.240 0.000 1.593 607 G CA -1.050 44.097 45.100 0.079 0.000 0.963 607 G HN 0.603 nan 8.290 nan 0.000 0.685 608 K N -0.016 120.517 120.400 0.223 0.000 2.118 608 K HA 0.728 5.040 4.320 -0.013 0.000 0.267 608 K C 0.294 177.021 176.600 0.212 0.000 0.991 608 K CA -0.167 56.265 56.287 0.242 0.000 0.916 608 K CB 1.996 34.542 32.500 0.078 0.000 1.041 608 K HN 0.852 nan 8.250 nan 0.000 0.455 609 A N 1.581 124.558 122.820 0.262 0.000 2.305 609 A HA 0.606 4.918 4.320 -0.013 0.000 0.322 609 A C -0.356 177.405 177.584 0.295 0.000 1.187 609 A CA -0.725 51.406 52.037 0.156 0.000 0.825 609 A CB 0.925 19.950 19.000 0.043 0.000 1.164 609 A HN 0.786 nan 8.150 nan 0.000 0.498 610 A N 3.724 126.702 122.820 0.263 0.000 2.546 610 A HA 0.445 4.757 4.320 -0.013 0.000 0.243 610 A C -1.434 176.266 177.584 0.193 0.000 1.063 610 A CA -0.724 51.487 52.037 0.290 0.000 0.757 610 A CB -0.357 18.811 19.000 0.280 0.000 0.991 610 A HN 0.597 nan 8.150 nan 0.000 0.503 611 P HA -0.111 nan 4.420 nan 0.000 0.220 611 P C 1.273 178.583 177.300 0.017 0.000 1.144 611 P CA 1.845 64.909 63.100 -0.060 0.000 0.800 611 P CB 0.248 31.845 31.700 -0.172 0.000 0.772 612 G N -3.012 105.833 108.800 0.075 0.000 3.088 612 G HA2 -0.070 3.882 3.960 -0.013 0.000 0.217 612 G HA3 -0.070 3.882 3.960 -0.013 0.000 0.217 612 G C -0.185 174.803 174.900 0.146 0.000 1.159 612 G CA -0.097 45.047 45.100 0.073 0.000 0.760 612 G HN 0.299 nan 8.290 nan 0.000 0.550 613 Y N 1.865 122.187 120.300 0.037 0.000 2.627 613 Y HA 0.177 4.719 4.550 -0.013 0.000 0.347 613 Y C 1.658 177.601 175.900 0.071 0.000 1.099 613 Y CA -1.008 57.121 58.100 0.049 0.000 1.408 613 Y CB 0.145 38.627 38.460 0.037 0.000 1.247 613 Y HN 0.294 nan 8.280 nan 0.000 0.506 614 H N 4.243 123.464 119.070 0.253 0.000 2.321 614 H HA -0.206 4.342 4.556 -0.013 0.000 0.300 614 H C 1.808 177.190 175.328 0.090 0.000 1.087 614 H CA 2.201 58.329 56.048 0.133 0.000 1.319 614 H CB 0.385 30.209 29.762 0.103 0.000 1.379 614 H HN 0.726 nan 8.280 nan 0.000 0.501 615 M N 1.079 120.702 119.600 0.038 0.000 2.117 615 M HA -0.068 4.404 4.480 -0.013 0.000 0.262 615 M C 2.517 178.612 176.300 -0.341 0.000 1.065 615 M CA 1.806 57.039 55.300 -0.112 0.000 1.114 615 M CB -0.695 31.975 32.600 0.116 0.000 1.361 615 M HN 0.333 nan 8.290 nan 0.000 0.408 616 A N -0.497 121.906 122.820 -0.696 0.000 1.969 616 A HA -0.173 4.140 4.320 -0.013 0.000 0.218 616 A C 2.184 179.579 177.584 -0.315 0.000 1.169 616 A CA 1.748 53.379 52.037 -0.676 0.000 0.635 616 A CB -0.613 17.753 19.000 -1.057 0.000 0.810 616 A HN 0.585 nan 8.150 nan 0.000 0.445 617 K N -1.126 119.148 120.400 -0.209 0.000 2.155 617 K HA -0.018 4.294 4.320 -0.013 0.000 0.203 617 K C 1.882 178.449 176.600 -0.054 0.000 1.052 617 K CA 1.131 57.377 56.287 -0.068 0.000 0.948 617 K CB -0.193 32.329 32.500 0.035 0.000 0.728 617 K HN 0.326 nan 8.250 nan 0.000 0.448 618 M N 0.568 120.086 119.600 -0.136 0.000 2.175 618 M HA -0.083 4.390 4.480 -0.013 0.000 0.264 618 M C 2.087 178.319 176.300 -0.114 0.000 1.063 618 M CA 1.402 56.658 55.300 -0.073 0.000 1.119 618 M CB -0.606 31.932 32.600 -0.103 0.000 1.377 618 M HN 0.123 nan 8.290 nan 0.000 0.415 619 I N -0.236 120.229 120.570 -0.175 0.000 2.252 619 I HA -0.296 3.866 4.170 -0.013 0.000 0.245 619 I C 2.264 178.242 176.117 -0.231 0.000 1.102 619 I CA 1.016 62.197 61.300 -0.199 0.000 1.385 619 I CB -0.284 37.601 38.000 -0.192 0.000 1.064 619 I HN 0.162 nan 8.210 nan 0.000 0.414 620 I N 0.662 121.080 120.570 -0.254 0.000 2.163 620 I HA -0.323 3.839 4.170 -0.013 0.000 0.243 620 I C 2.602 178.434 176.117 -0.474 0.000 1.085 620 I CA 1.333 62.383 61.300 -0.417 0.000 1.347 620 I CB -0.320 37.409 38.000 -0.452 0.000 1.044 620 I HN 0.146 nan 8.210 nan 0.000 0.408 621 K N 1.464 121.604 120.400 -0.432 0.000 2.063 621 K HA -0.165 4.147 4.320 -0.013 0.000 0.208 621 K C 2.043 178.475 176.600 -0.280 0.000 1.048 621 K CA 1.541 57.498 56.287 -0.550 0.000 0.928 621 K CB -0.602 31.292 32.500 -1.009 0.000 0.713 621 K HN 0.237 nan 8.250 nan 0.000 0.442 622 L N 0.371 121.438 121.223 -0.260 0.000 2.012 622 L HA -0.199 4.133 4.340 -0.013 0.000 0.210 622 L C 2.219 178.844 176.870 -0.409 0.000 1.073 622 L CA 1.801 56.311 54.840 -0.551 0.000 0.748 622 L CB -0.302 41.345 42.059 -0.687 0.000 0.891 622 L HN 0.282 nan 8.230 nan 0.000 0.431 623 I N -0.288 120.094 120.570 -0.312 0.000 2.163 623 I HA -0.339 3.823 4.170 -0.013 0.000 0.243 623 I C 2.639 178.649 176.117 -0.177 0.000 1.085 623 I CA 1.945 63.117 61.300 -0.213 0.000 1.347 623 I CB -0.620 37.326 38.000 -0.089 0.000 1.044 623 I HN 0.435 nan 8.210 nan 0.000 0.408 624 T N -0.735 113.686 114.554 -0.221 0.000 2.788 624 T HA -0.100 4.242 4.350 -0.013 0.000 0.268 624 T C 1.992 176.630 174.700 -0.103 0.000 1.044 624 T CA 0.987 62.992 62.100 -0.160 0.000 1.139 624 T CB -0.530 68.201 68.868 -0.228 0.000 0.867 624 T HN 0.346 nan 8.240 nan 0.000 0.454 625 A N 1.503 124.259 122.820 -0.106 0.000 1.902 625 A HA 0.126 4.438 4.320 -0.013 0.000 0.217 625 A C 2.385 179.994 177.584 0.041 0.000 1.181 625 A CA 1.335 53.382 52.037 0.017 0.000 0.623 625 A CB -0.824 18.288 19.000 0.186 0.000 0.818 625 A HN 0.594 nan 8.150 nan 0.000 0.443 626 I N -0.326 120.166 120.570 -0.130 0.000 2.179 626 I HA -0.196 3.966 4.170 -0.013 0.000 0.242 626 I C 2.754 178.839 176.117 -0.053 0.000 1.088 626 I CA 1.142 62.349 61.300 -0.154 0.000 1.357 626 I CB -0.710 37.077 38.000 -0.356 0.000 1.051 626 I HN 0.386 nan 8.210 nan 0.000 0.409 627 G N 0.577 109.337 108.800 -0.066 0.000 2.476 627 G HA2 -0.291 3.661 3.960 -0.013 0.000 0.218 627 G HA3 -0.291 3.661 3.960 -0.013 0.000 0.218 627 G C 1.269 176.177 174.900 0.013 0.000 1.164 627 G CA 1.204 46.278 45.100 -0.043 0.000 0.768 627 G HN 0.295 nan 8.290 nan 0.000 0.560 628 D N -0.046 120.393 120.400 0.066 0.000 2.149 628 D HA -0.089 4.543 4.640 -0.013 0.000 0.198 628 D C 2.690 179.107 176.300 0.195 0.000 0.990 628 D CA 0.777 54.877 54.000 0.166 0.000 0.839 628 D CB -0.231 40.613 40.800 0.074 0.000 0.948 628 D HN 0.260 nan 8.370 nan 0.000 0.460 629 V N 0.141 120.101 119.914 0.077 0.000 2.331 629 V HA -0.131 3.981 4.120 -0.013 0.000 0.242 629 V C 2.577 178.627 176.094 -0.073 0.000 1.034 629 V CA 0.746 63.035 62.300 -0.020 0.000 1.027 629 V CB -0.180 31.596 31.823 -0.078 0.000 0.667 629 V HN 0.029 nan 8.190 nan 0.000 0.457 630 V N 0.877 120.701 119.914 -0.150 0.000 2.358 630 V HA -0.178 3.934 4.120 -0.013 0.000 0.246 630 V C 2.135 178.196 176.094 -0.057 0.000 1.047 630 V CA 1.905 64.103 62.300 -0.170 0.000 1.035 630 V CB -0.825 30.894 31.823 -0.173 0.000 0.658 630 V HN 0.564 nan 8.190 nan 0.000 0.452 631 N N -0.258 118.367 118.700 -0.125 0.000 2.512 631 N HA -0.092 4.640 4.740 -0.013 0.000 0.183 631 N C 1.225 176.486 175.510 -0.415 0.000 1.073 631 N CA 0.944 53.830 53.050 -0.273 0.000 0.911 631 N CB -0.250 38.010 38.487 -0.380 0.000 0.964 631 N HN 0.681 nan 8.380 nan 0.000 0.447 632 H N -1.489 117.587 119.070 0.010 0.000 2.893 632 H HA 0.198 4.746 4.556 -0.013 0.000 0.270 632 H C -0.436 174.909 175.328 0.029 0.000 1.095 632 H CA -0.486 55.571 56.048 0.014 0.000 1.186 632 H CB 0.657 30.418 29.762 -0.003 0.000 1.562 632 H HN -0.011 nan 8.280 nan 0.000 0.536 633 D N 1.791 122.269 120.400 0.130 0.000 2.325 633 D HA 0.029 4.661 4.640 -0.013 0.000 0.251 633 D C -1.603 174.756 176.300 0.098 0.000 1.196 633 D CA -1.909 52.178 54.000 0.145 0.000 0.866 633 D CB 1.674 42.637 40.800 0.272 0.000 1.101 633 D HN 0.109 nan 8.370 nan 0.000 0.476 634 P HA -0.109 nan 4.420 nan 0.000 0.218 634 P C 1.568 178.888 177.300 0.034 0.000 1.149 634 P CA 0.345 63.473 63.100 0.046 0.000 0.817 634 P CB 0.428 32.150 31.700 0.037 0.000 0.785 635 V N -0.604 119.332 119.914 0.036 0.000 2.515 635 V HA -0.165 3.948 4.120 -0.013 0.000 0.250 635 V C 2.449 178.547 176.094 0.007 0.000 1.058 635 V CA 1.443 63.750 62.300 0.012 0.000 1.064 635 V CB -0.994 30.824 31.823 -0.007 0.000 0.675 635 V HN -0.024 nan 8.190 nan 0.000 0.461 636 V N -0.125 119.811 119.914 0.037 0.000 2.307 636 V HA 0.057 4.169 4.120 -0.013 0.000 0.245 636 V C 1.781 177.882 176.094 0.011 0.000 1.045 636 V CA 1.724 64.046 62.300 0.036 0.000 1.024 636 V CB -1.303 30.587 31.823 0.112 0.000 0.651 636 V HN 0.750 nan 8.190 nan 0.000 0.449 637 G N 1.387 110.197 108.800 0.017 0.000 2.527 637 G HA2 -0.351 3.601 3.960 -0.013 0.000 0.268 637 G HA3 -0.351 3.601 3.960 -0.013 0.000 0.268 637 G C 0.214 175.113 174.900 -0.001 0.000 1.175 637 G CA 0.409 45.513 45.100 0.006 0.000 0.962 637 G HN 0.676 nan 8.290 nan 0.000 0.560 638 D N 0.331 120.730 120.400 -0.002 0.000 2.358 638 D HA 0.166 4.798 4.640 -0.013 0.000 0.224 638 D C 1.858 178.150 176.300 -0.014 0.000 1.123 638 D CA 0.196 54.195 54.000 -0.001 0.000 0.833 638 D CB -0.099 40.709 40.800 0.014 0.000 0.946 638 D HN 0.605 nan 8.370 nan 0.000 0.505 639 R N -0.733 119.748 120.500 -0.032 0.000 2.200 639 R HA 0.211 4.543 4.340 -0.013 0.000 0.208 639 R C -0.057 176.199 176.300 -0.074 0.000 1.033 639 R CA 0.237 56.294 56.100 -0.072 0.000 1.000 639 R CB 0.267 30.506 30.300 -0.103 0.000 0.906 639 R HN 0.121 nan 8.270 nan 0.000 0.462 640 L N 0.603 121.801 121.223 -0.043 0.000 2.505 640 L HA 0.390 4.722 4.340 -0.013 0.000 0.266 640 L C -1.567 175.280 176.870 -0.038 0.000 0.954 640 L CA -0.487 54.328 54.840 -0.043 0.000 0.852 640 L CB 1.839 43.886 42.059 -0.021 0.000 1.282 640 L HN -0.177 nan 8.230 nan 0.000 0.403 641 R N 3.838 124.303 120.500 -0.058 0.000 2.628 641 R HA 0.779 5.111 4.340 -0.013 0.000 0.288 641 R C -1.677 174.571 176.300 -0.086 0.000 0.980 641 R CA -0.777 55.280 56.100 -0.071 0.000 0.891 641 R CB 2.435 32.694 30.300 -0.069 0.000 1.188 641 R HN 0.410 nan 8.270 nan 0.000 0.450 642 V N 4.838 124.700 119.914 -0.086 0.000 2.407 642 V HA 0.507 4.619 4.120 -0.013 0.000 0.291 642 V C -0.318 175.735 176.094 -0.068 0.000 1.018 642 V CA -0.723 61.528 62.300 -0.082 0.000 0.842 642 V CB 1.619 33.392 31.823 -0.083 0.000 0.996 642 V HN 0.547 nan 8.190 nan 0.000 0.426 643 I N 4.885 125.412 120.570 -0.071 0.000 2.466 643 I HA 0.431 4.593 4.170 -0.013 0.000 0.289 643 I C -0.648 175.456 176.117 -0.022 0.000 1.026 643 I CA -0.323 60.944 61.300 -0.055 0.000 1.078 643 I CB 1.964 39.904 38.000 -0.101 0.000 1.249 643 I HN 0.558 nan 8.210 nan 0.000 0.429 644 F N 7.074 126.957 119.950 -0.112 0.000 2.404 644 F HA 0.446 4.965 4.527 -0.013 0.000 0.358 644 F C -0.438 175.295 175.800 -0.111 0.000 1.120 644 F CA -0.610 57.326 58.000 -0.106 0.000 1.144 644 F CB 0.593 39.536 39.000 -0.095 0.000 1.133 644 F HN 0.179 nan 8.300 nan 0.000 0.495 645 L N 6.247 127.063 121.223 -0.678 0.000 2.407 645 L HA 0.142 4.474 4.340 -0.013 0.000 0.282 645 L C 0.289 176.849 176.870 -0.516 0.000 1.110 645 L CA 0.166 54.722 54.840 -0.473 0.000 0.863 645 L CB 0.012 41.883 42.059 -0.312 0.000 1.207 645 L HN 0.609 nan 8.230 nan 0.000 0.454 646 E N 3.351 123.410 120.200 -0.235 0.000 2.360 646 E HA -0.013 4.329 4.350 -0.013 0.000 0.269 646 E C 0.474 177.123 176.600 0.082 0.000 1.022 646 E CA -0.189 56.228 56.400 0.028 0.000 0.887 646 E CB 0.303 30.027 29.700 0.040 0.000 0.990 646 E HN 0.535 nan 8.360 nan 0.000 0.426 647 N N 2.673 121.482 118.700 0.182 0.000 2.738 647 N HA -0.277 4.455 4.740 -0.013 0.000 0.249 647 N C -1.557 174.044 175.510 0.151 0.000 1.047 647 N CA 0.513 53.670 53.050 0.179 0.000 0.707 647 N CB -1.640 36.969 38.487 0.205 0.000 0.937 647 N HN 0.492 nan 8.380 nan 0.000 0.545 648 Y N 1.616 121.919 120.300 0.005 0.000 2.721 648 Y HA 0.189 4.731 4.550 -0.013 0.000 0.329 648 Y C 1.125 177.043 175.900 0.031 0.000 1.211 648 Y CA 0.671 58.764 58.100 -0.012 0.000 1.512 648 Y CB 0.302 38.723 38.460 -0.065 0.000 1.249 648 Y HN 0.373 nan 8.280 nan 0.000 0.549 649 R N 2.496 122.659 120.500 -0.562 0.000 2.762 649 R HA 0.441 4.774 4.340 -0.013 0.000 0.271 649 R C -0.586 175.390 176.300 -0.541 0.000 1.038 649 R CA -0.592 55.263 56.100 -0.408 0.000 0.906 649 R CB 0.321 30.562 30.300 -0.098 0.000 1.259 649 R HN 0.359 nan 8.270 nan 0.000 0.457 650 V N 1.073 120.704 119.914 -0.473 0.000 2.287 650 V HA -0.278 3.834 4.120 -0.013 0.000 0.248 650 V C 2.587 178.554 176.094 -0.213 0.000 1.053 650 V CA 2.807 64.882 62.300 -0.374 0.000 1.027 650 V CB -0.758 30.811 31.823 -0.424 0.000 0.646 650 V HN 0.917 nan 8.190 nan 0.000 0.447 651 S N -0.045 115.550 115.700 -0.175 0.000 2.402 651 S HA -0.157 4.305 4.470 -0.013 0.000 0.229 651 S C 1.931 176.475 174.600 -0.093 0.000 1.021 651 S CA 1.551 59.676 58.200 -0.126 0.000 0.974 651 S CB -0.495 62.657 63.200 -0.080 0.000 0.800 651 S HN 0.393 nan 8.310 nan 0.000 0.484 652 L N 1.901 123.080 121.223 -0.073 0.000 2.109 652 L HA 0.280 4.612 4.340 -0.013 0.000 0.207 652 L C 2.690 179.572 176.870 0.021 0.000 1.086 652 L CA 1.418 56.257 54.840 -0.000 0.000 0.760 652 L CB -1.174 40.946 42.059 0.101 0.000 0.910 652 L HN 0.366 nan 8.230 nan 0.000 0.437 653 A N -0.669 122.148 122.820 -0.005 0.000 1.902 653 A HA -0.242 4.070 4.320 -0.013 0.000 0.217 653 A C 2.127 179.769 177.584 0.097 0.000 1.181 653 A CA 1.833 53.940 52.037 0.117 0.000 0.623 653 A CB -0.633 18.430 19.000 0.105 0.000 0.818 653 A HN 0.591 nan 8.150 nan 0.000 0.443 654 E N -0.370 119.870 120.200 0.067 0.000 2.267 654 E HA -0.187 4.155 4.350 -0.013 0.000 0.197 654 E C 1.905 178.467 176.600 -0.064 0.000 0.998 654 E CA 1.297 57.688 56.400 -0.015 0.000 0.830 654 E CB -0.074 29.525 29.700 -0.168 0.000 0.751 654 E HN 0.633 nan 8.360 nan 0.000 0.491 655 K N 0.031 120.374 120.400 -0.095 0.000 2.121 655 K HA 0.020 4.332 4.320 -0.013 0.000 0.203 655 K C 2.170 178.587 176.600 -0.306 0.000 1.041 655 K CA 0.474 56.687 56.287 -0.124 0.000 0.969 655 K CB -0.050 32.383 32.500 -0.112 0.000 0.799 655 K HN -0.052 nan 8.250 nan 0.000 0.456 656 V N 1.868 121.509 119.914 -0.454 0.000 2.488 656 V HA -0.137 3.975 4.120 -0.013 0.000 0.246 656 V C 1.918 177.773 176.094 -0.398 0.000 1.046 656 V CA 1.236 63.057 62.300 -0.798 0.000 1.053 656 V CB -0.167 31.286 31.823 -0.616 0.000 0.679 656 V HN 0.248 nan 8.190 nan 0.000 0.458 657 I N 0.686 121.070 120.570 -0.310 0.000 2.163 657 I HA -0.148 4.014 4.170 -0.013 0.000 0.243 657 I C -0.207 175.792 176.117 -0.197 0.000 1.085 657 I CA 1.752 62.796 61.300 -0.426 0.000 1.347 657 I CB -1.527 36.074 38.000 -0.665 0.000 1.044 657 I HN 0.363 nan 8.210 nan 0.000 0.408 658 P HA -0.143 nan 4.420 nan 0.000 0.221 658 P C 0.988 178.286 177.300 -0.004 0.000 1.145 658 P CA 1.379 64.455 63.100 -0.041 0.000 0.795 658 P CB -0.000 31.683 31.700 -0.028 0.000 0.775 659 A N -1.234 121.570 122.820 -0.025 0.000 2.238 659 A HA 0.448 4.760 4.320 -0.013 0.000 0.210 659 A C 1.204 178.898 177.584 0.184 0.000 1.179 659 A CA 0.188 52.270 52.037 0.074 0.000 0.827 659 A CB -0.664 18.394 19.000 0.096 0.000 0.856 659 A HN 0.205 nan 8.150 nan 0.000 0.488 660 A N -0.082 122.842 122.820 0.173 0.000 2.354 660 A HA 0.476 4.788 4.320 -0.013 0.000 0.269 660 A C 0.328 178.064 177.584 0.254 0.000 1.109 660 A CA -0.181 52.020 52.037 0.274 0.000 0.800 660 A CB 0.354 19.603 19.000 0.415 0.000 1.045 660 A HN 0.267 nan 8.150 nan 0.000 0.489 661 D N 0.495 121.046 120.400 0.251 0.000 2.394 661 D HA 0.126 4.758 4.640 -0.013 0.000 0.226 661 D C -0.014 176.506 176.300 0.367 0.000 0.990 661 D CA 0.743 54.944 54.000 0.335 0.000 0.902 661 D CB 0.339 41.258 40.800 0.199 0.000 1.038 661 D HN 0.362 nan 8.370 nan 0.000 0.499 662 L N 1.115 122.436 121.223 0.163 0.000 2.376 662 L HA 0.283 4.615 4.340 -0.013 0.000 0.275 662 L C -0.865 175.896 176.870 -0.181 0.000 0.987 662 L CA -0.301 54.558 54.840 0.032 0.000 0.828 662 L CB 2.114 44.165 42.059 -0.013 0.000 1.249 662 L HN -0.194 nan 8.230 nan 0.000 0.409 663 S N 4.302 119.811 115.700 -0.320 0.000 2.429 663 S HA 0.329 4.791 4.470 -0.013 0.000 0.302 663 S C -0.386 173.953 174.600 -0.436 0.000 1.115 663 S CA -0.658 57.116 58.200 -0.711 0.000 1.095 663 S CB 0.654 63.367 63.200 -0.810 0.000 0.987 663 S HN 0.554 nan 8.310 nan 0.000 0.474 664 E N 4.169 124.123 120.200 -0.411 0.000 2.089 664 E HA 0.202 4.544 4.350 -0.013 0.000 0.284 664 E C -0.549 175.943 176.600 -0.180 0.000 1.023 664 E CA -0.403 55.878 56.400 -0.199 0.000 0.819 664 E CB 0.974 30.587 29.700 -0.145 0.000 1.076 664 E HN 0.605 nan 8.360 nan 0.000 0.396 665 Q N 2.850 122.598 119.800 -0.086 0.000 2.907 665 Q HA 0.276 4.608 4.340 -0.013 0.000 0.262 665 Q C 0.586 176.571 176.000 -0.024 0.000 0.997 665 Q CA -0.140 55.623 55.803 -0.067 0.000 0.797 665 Q CB 0.274 28.983 28.738 -0.049 0.000 1.228 665 Q HN 0.614 nan 8.270 nan 0.000 0.466 666 I N -1.705 118.836 120.570 -0.049 0.000 3.569 666 I HA 0.277 4.439 4.170 -0.013 0.000 0.334 666 I C 0.389 176.450 176.117 -0.094 0.000 1.570 666 I CA -0.699 60.583 61.300 -0.029 0.000 1.082 666 I CB 0.554 38.546 38.000 -0.013 0.000 1.323 666 I HN 0.015 nan 8.210 nan 0.000 0.489 667 S N 0.420 116.061 115.700 -0.098 0.000 2.573 667 S HA 0.193 4.655 4.470 -0.013 0.000 0.277 667 S C 0.575 175.146 174.600 -0.048 0.000 1.346 667 S CA -0.235 57.922 58.200 -0.071 0.000 1.034 667 S CB 0.326 63.530 63.200 0.006 0.000 0.879 667 S HN 0.387 nan 8.310 nan 0.000 0.528 668 T N 2.803 117.361 114.554 0.006 0.000 2.902 668 T HA 0.374 4.716 4.350 -0.013 0.000 0.301 668 T C 0.751 175.459 174.700 0.014 0.000 1.012 668 T CA 0.246 62.363 62.100 0.027 0.000 1.151 668 T CB -0.050 68.906 68.868 0.147 0.000 0.946 668 T HN 1.019 nan 8.240 nan 0.000 0.542 669 A N 2.767 125.566 122.820 -0.036 0.000 2.566 669 A HA 0.455 4.767 4.320 -0.013 0.000 0.245 669 A C 1.643 179.222 177.584 -0.009 0.000 1.056 669 A CA 0.283 52.295 52.037 -0.041 0.000 0.757 669 A CB -0.880 18.082 19.000 -0.062 0.000 0.979 669 A HN 1.722 nan 8.150 nan 0.000 0.508 670 G N 1.356 110.150 108.800 -0.010 0.000 2.176 670 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.232 670 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.232 670 G C 0.872 175.766 174.900 -0.010 0.000 0.986 670 G CA 1.118 46.215 45.100 -0.005 0.000 0.643 670 G HN 1.985 nan 8.290 nan 0.000 0.522 671 T N -2.436 112.112 114.554 -0.010 0.000 3.038 671 T HA 0.407 4.749 4.350 -0.013 0.000 0.244 671 T C 0.754 175.326 174.700 -0.212 0.000 1.016 671 T CA 1.068 63.110 62.100 -0.096 0.000 1.098 671 T CB 0.534 69.403 68.868 0.001 0.000 0.954 671 T HN 0.285 nan 8.240 nan 0.000 0.469 672 E N 1.532 121.727 120.200 -0.008 0.000 2.052 672 E HA 0.658 5.000 4.350 -0.013 0.000 0.283 672 E C 1.176 177.724 176.600 -0.087 0.000 1.071 672 E CA 0.106 56.533 56.400 0.045 0.000 0.851 672 E CB 0.808 30.588 29.700 0.134 0.000 1.066 672 E HN 0.356 nan 8.360 nan 0.000 0.396 673 A N 3.486 126.172 122.820 -0.224 0.000 1.884 673 A HA -0.240 4.072 4.320 -0.013 0.000 0.219 673 A C 2.011 179.465 177.584 -0.217 0.000 1.197 673 A CA 2.373 54.133 52.037 -0.461 0.000 0.637 673 A CB -0.383 18.114 19.000 -0.839 0.000 0.827 673 A HN 0.614 nan 8.150 nan 0.000 0.450 674 S N -3.827 111.806 115.700 -0.111 0.000 3.624 674 S HA 0.451 4.913 4.470 -0.013 0.000 0.244 674 S C 0.744 175.332 174.600 -0.021 0.000 1.115 674 S CA 1.436 59.618 58.200 -0.031 0.000 0.820 674 S CB -0.126 63.080 63.200 0.011 0.000 0.964 674 S HN 2.306 nan 8.310 nan 0.000 0.508 675 G N 0.385 109.178 108.800 -0.012 0.000 2.722 675 G HA2 -0.075 3.877 3.960 -0.013 0.000 0.686 675 G HA3 -0.075 3.877 3.960 -0.013 0.000 0.686 675 G C 0.253 175.136 174.900 -0.030 0.000 1.282 675 G CA 0.439 45.530 45.100 -0.015 0.000 0.817 675 G HN 1.303 nan 8.290 nan 0.000 0.605 676 T N -1.760 112.765 114.554 -0.049 0.000 2.992 676 T HA 0.381 4.724 4.350 -0.013 0.000 0.255 676 T C 2.387 176.992 174.700 -0.158 0.000 0.938 676 T CA 1.233 63.275 62.100 -0.096 0.000 0.895 676 T CB 0.313 69.116 68.868 -0.109 0.000 1.221 676 T HN 1.888 nan 8.240 nan 0.000 0.512 677 G N 3.179 111.915 108.800 -0.107 0.000 2.442 677 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.219 677 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.219 677 G C 1.467 176.437 174.900 0.116 0.000 1.141 677 G CA 1.217 46.285 45.100 -0.054 0.000 0.763 677 G HN 0.833 nan 8.290 nan 0.000 0.554 678 N N -0.061 118.675 118.700 0.061 0.000 2.061 678 N HA -0.110 4.623 4.740 -0.013 0.000 0.193 678 N C 1.445 176.963 175.510 0.013 0.000 1.030 678 N CA 0.667 53.748 53.050 0.051 0.000 0.856 678 N CB -0.351 38.119 38.487 -0.029 0.000 1.023 678 N HN 0.338 nan 8.380 nan 0.000 0.424 682 M N 0.359 120.040 119.600 0.135 0.000 2.108 682 M HA -0.159 4.314 4.480 -0.013 0.000 0.261 682 M C 1.997 178.344 176.300 0.079 0.000 1.066 682 M CA 1.831 57.179 55.300 0.080 0.000 1.107 682 M CB -0.060 32.580 32.600 0.067 0.000 1.356 682 M HN 0.328 nan 8.290 nan 0.000 0.406 683 L N 0.759 122.026 121.223 0.073 0.000 2.201 683 L HA -0.091 4.242 4.340 -0.013 0.000 0.212 683 L C 1.385 178.294 176.870 0.066 0.000 1.105 683 L CA 1.663 56.553 54.840 0.083 0.000 0.775 683 L CB -0.617 41.500 42.059 0.096 0.000 0.913 683 L HN 0.353 nan 8.230 nan 0.000 0.440 684 N N -0.322 118.408 118.700 0.050 0.000 2.235 684 N HA 0.169 4.902 4.740 -0.013 0.000 0.209 684 N C 0.817 176.360 175.510 0.054 0.000 1.122 684 N CA 0.797 53.870 53.050 0.039 0.000 0.845 684 N CB 0.595 39.083 38.487 0.000 0.000 1.004 684 N HN 0.406 nan 8.380 nan 0.000 0.499 685 G N 0.575 109.413 108.800 0.063 0.000 2.140 685 G HA2 -0.182 3.770 3.960 -0.013 0.000 0.211 685 G HA3 -0.182 3.770 3.960 -0.013 0.000 0.211 685 G C -0.042 174.924 174.900 0.110 0.000 1.013 685 G CA 0.088 45.226 45.100 0.063 0.000 0.705 685 G HN 0.504 nan 8.290 nan 0.000 0.508 686 A N -0.251 122.645 122.820 0.127 0.000 2.312 686 A HA 0.880 5.192 4.320 -0.013 0.000 0.328 686 A C 0.451 178.039 177.584 0.006 0.000 1.158 686 A CA -0.608 51.521 52.037 0.153 0.000 0.821 686 A CB 0.969 20.120 19.000 0.251 0.000 1.170 686 A HN 0.730 nan 8.150 nan 0.000 0.490 687 L N 0.846 122.035 121.223 -0.058 0.000 2.421 687 L HA 0.433 4.765 4.340 -0.013 0.000 0.263 687 L C 0.182 176.931 176.870 -0.202 0.000 1.122 687 L CA -0.300 54.407 54.840 -0.221 0.000 0.804 687 L CB 1.428 43.264 42.059 -0.371 0.000 1.150 687 L HN 0.683 nan 8.230 nan 0.000 0.457 688 T N 2.854 117.168 114.554 -0.400 0.000 2.770 688 T HA 0.437 4.779 4.350 -0.013 0.000 0.283 688 T C -0.350 174.217 174.700 -0.223 0.000 0.988 688 T CA -0.255 61.580 62.100 -0.441 0.000 0.957 688 T CB 1.381 69.785 68.868 -0.773 0.000 0.930 688 T HN 0.347 nan 8.240 nan 0.000 0.443 689 I N 3.227 123.767 120.570 -0.049 0.000 2.321 689 I HA 0.696 4.858 4.170 -0.013 0.000 0.291 689 I C 0.166 176.427 176.117 0.239 0.000 0.998 689 I CA 0.115 61.503 61.300 0.147 0.000 1.227 689 I CB 0.254 38.284 38.000 0.051 0.000 1.368 689 I HN 0.776 nan 8.210 nan 0.000 0.466 690 G N 4.028 113.044 108.800 0.360 0.000 2.623 690 G HA2 0.459 4.411 3.960 -0.013 0.000 0.290 690 G HA3 0.459 4.411 3.960 -0.013 0.000 0.290 690 G C -0.912 173.924 174.900 -0.107 0.000 1.437 690 G CA -0.462 44.758 45.100 0.201 0.000 0.798 690 G HN 0.572 nan 8.290 nan 0.000 0.488 691 T N -1.263 113.091 114.554 -0.334 0.000 2.874 691 T HA 0.499 4.841 4.350 -0.013 0.000 0.281 691 T C 0.759 175.343 174.700 -0.194 0.000 0.994 691 T CA -0.709 61.117 62.100 -0.456 0.000 1.015 691 T CB 1.124 69.731 68.868 -0.434 0.000 1.028 691 T HN 0.264 nan 8.240 nan 0.000 0.523 692 M N 2.953 122.450 119.600 -0.173 0.000 3.254 692 M HA 0.307 4.779 4.480 -0.013 0.000 0.257 692 M C -0.423 175.822 176.300 -0.091 0.000 1.490 692 M CA 0.064 55.297 55.300 -0.112 0.000 1.620 692 M CB -1.843 30.699 32.600 -0.096 0.000 1.157 692 M HN 0.735 nan 8.290 nan 0.000 0.541 693 D N 0.118 120.470 120.400 -0.079 0.000 2.732 693 D HA 0.664 5.296 4.640 -0.013 0.000 0.229 693 D C 0.694 176.972 176.300 -0.038 0.000 1.152 693 D CA 0.724 54.692 54.000 -0.053 0.000 0.854 693 D CB 1.716 42.485 40.800 -0.050 0.000 1.590 693 D HN 0.607 nan 8.370 nan 0.000 0.468 694 G N 1.858 110.645 108.800 -0.022 0.000 2.627 694 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.312 694 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.312 694 G C 1.050 175.942 174.900 -0.013 0.000 1.299 694 G CA 1.144 46.236 45.100 -0.014 0.000 0.989 694 G HN 1.082 nan 8.290 nan 0.000 0.547 695 A N -0.329 122.480 122.820 -0.020 0.000 2.167 695 A HA 0.105 4.417 4.320 -0.013 0.000 0.214 695 A C 2.106 179.626 177.584 -0.107 0.000 1.151 695 A CA 1.784 53.805 52.037 -0.028 0.000 0.735 695 A CB -0.442 18.535 19.000 -0.038 0.000 0.802 695 A HN 0.625 nan 8.150 nan 0.000 0.467 696 N N 0.602 119.247 118.700 -0.091 0.000 2.137 696 N HA -0.162 4.570 4.740 -0.013 0.000 0.190 696 N C 1.590 176.970 175.510 -0.218 0.000 1.017 696 N CA 1.638 54.627 53.050 -0.100 0.000 0.859 696 N CB -0.634 37.844 38.487 -0.015 0.000 1.002 696 N HN 0.303 nan 8.380 nan 0.000 0.428 697 V N 1.232 121.063 119.914 -0.140 0.000 2.295 697 V HA -0.214 3.898 4.120 -0.013 0.000 0.246 697 V C 1.995 178.010 176.094 -0.132 0.000 1.049 697 V CA 1.712 63.928 62.300 -0.139 0.000 1.024 697 V CB -0.503 31.276 31.823 -0.074 0.000 0.648 697 V HN 0.349 nan 8.190 nan 0.000 0.447 698 E N -0.566 119.614 120.200 -0.034 0.000 2.152 698 E HA -0.135 4.207 4.350 -0.013 0.000 0.192 698 E C 2.224 178.932 176.600 0.179 0.000 0.983 698 E CA 1.058 57.517 56.400 0.100 0.000 0.818 698 E CB -0.202 29.647 29.700 0.247 0.000 0.758 698 E HN 0.531 nan 8.360 nan 0.000 0.467 699 M N 0.569 120.157 119.600 -0.019 0.000 2.080 699 M HA -0.180 4.292 4.480 -0.013 0.000 0.260 699 M C 2.498 178.552 176.300 -0.411 0.000 1.068 699 M CA 1.657 56.857 55.300 -0.166 0.000 1.109 699 M CB -0.239 32.164 32.600 -0.328 0.000 1.342 699 M HN 0.149 nan 8.290 nan 0.000 0.405 700 A N -0.235 122.054 122.820 -0.885 0.000 1.933 700 A HA -0.213 4.099 4.320 -0.013 0.000 0.218 700 A C 1.984 179.369 177.584 -0.332 0.000 1.175 700 A CA 1.919 53.406 52.037 -0.916 0.000 0.628 700 A CB -0.797 17.692 19.000 -0.852 0.000 0.814 700 A HN 0.597 nan 8.150 nan 0.000 0.444 701 E N -0.361 119.716 120.200 -0.205 0.000 2.077 701 E HA -0.217 4.126 4.350 -0.013 0.000 0.193 701 E C 1.777 178.351 176.600 -0.043 0.000 0.989 701 E CA 1.283 57.627 56.400 -0.093 0.000 0.800 701 E CB -0.075 29.591 29.700 -0.058 0.000 0.746 701 E HN 0.552 nan 8.360 nan 0.000 0.452 702 E N 0.195 120.399 120.200 0.006 0.000 2.047 702 E HA -0.130 4.212 4.350 -0.013 0.000 0.191 702 E C 1.920 178.547 176.600 0.044 0.000 0.987 702 E CA 1.155 57.582 56.400 0.045 0.000 0.799 702 E CB -0.256 29.527 29.700 0.139 0.000 0.752 702 E HN 0.370 nan 8.360 nan 0.000 0.449 703 A N 0.464 123.316 122.820 0.055 0.000 2.016 703 A HA 0.292 4.604 4.320 -0.013 0.000 0.217 703 A C 1.099 178.704 177.584 0.034 0.000 1.162 703 A CA 1.222 53.306 52.037 0.078 0.000 0.662 703 A CB -0.134 18.976 19.000 0.182 0.000 0.812 703 A HN 0.280 nan 8.150 nan 0.000 0.450 704 G N -0.811 107.983 108.800 -0.010 0.000 2.911 704 G HA2 -0.087 3.865 3.960 -0.013 0.000 0.686 704 G HA3 -0.087 3.865 3.960 -0.013 0.000 0.686 704 G C -0.038 174.847 174.900 -0.025 0.000 1.136 704 G CA 0.006 45.092 45.100 -0.023 0.000 0.764 704 G HN 0.235 nan 8.290 nan 0.000 0.626 705 E N 0.846 121.019 120.200 -0.045 0.000 2.204 705 E HA -0.139 4.204 4.350 -0.013 0.000 0.195 705 E C 2.001 178.587 176.600 -0.025 0.000 0.990 705 E CA 1.661 58.041 56.400 -0.035 0.000 0.821 705 E CB 0.094 29.769 29.700 -0.040 0.000 0.750 705 E HN 0.751 nan 8.360 nan 0.000 0.477 706 E N 0.675 120.849 120.200 -0.044 0.000 2.338 706 E HA -0.084 4.258 4.350 -0.013 0.000 0.197 706 E C 0.942 177.454 176.600 -0.146 0.000 1.007 706 E CA 0.616 56.968 56.400 -0.080 0.000 0.849 706 E CB -0.001 29.665 29.700 -0.057 0.000 0.774 706 E HN 0.137 nan 8.360 nan 0.000 0.506 707 N N -0.421 118.222 118.700 -0.095 0.000 2.238 707 N HA 0.153 4.885 4.740 -0.013 0.000 0.222 707 N C -0.983 174.447 175.510 -0.133 0.000 1.133 707 N CA 0.047 53.015 53.050 -0.136 0.000 0.854 707 N CB 0.459 38.921 38.487 -0.042 0.000 1.041 707 N HN 0.047 nan 8.380 nan 0.000 0.510 708 F N -0.301 119.434 119.950 -0.358 0.000 2.576 708 F HA 0.406 4.924 4.527 -0.014 0.000 0.313 708 F C -0.779 174.798 175.800 -0.372 0.000 1.078 708 F CA -1.077 56.751 58.000 -0.286 0.000 0.921 708 F CB 1.336 40.258 39.000 -0.129 0.000 1.232 708 F HN -0.214 nan 8.300 nan 0.000 0.459 709 F N 5.453 125.398 119.950 -0.008 0.000 2.425 709 F HA 0.413 4.933 4.527 -0.013 0.000 0.354 709 F C -0.044 175.884 175.800 0.213 0.000 1.162 709 F CA -0.385 57.655 58.000 0.066 0.000 1.250 709 F CB -0.138 38.849 39.000 -0.021 0.000 1.579 709 F HN 0.077 nan 8.300 nan 0.000 0.589 710 I N 3.832 124.603 120.570 0.336 0.000 2.428 710 I HA 0.359 4.521 4.170 -0.013 0.000 0.289 710 I C -0.211 176.096 176.117 0.317 0.000 1.019 710 I CA -0.544 60.921 61.300 0.275 0.000 1.351 710 I CB 0.754 38.840 38.000 0.143 0.000 1.412 710 I HN 0.346 nan 8.210 nan 0.000 0.513 711 F N 3.526 123.544 119.950 0.112 0.000 2.685 711 F HA 0.916 5.435 4.527 -0.014 0.000 0.315 711 F C -0.019 175.821 175.800 0.066 0.000 1.126 711 F CA -0.550 57.505 58.000 0.092 0.000 0.950 711 F CB 0.981 40.050 39.000 0.116 0.000 1.360 711 F HN 0.787 nan 8.300 nan 0.000 0.469 712 G N 1.102 109.976 108.800 0.122 0.000 2.728 712 G HA2 -0.080 3.872 3.960 -0.013 0.000 0.294 712 G HA3 -0.080 3.872 3.960 -0.013 0.000 0.294 712 G C -0.905 173.971 174.900 -0.041 0.000 1.342 712 G CA -0.624 44.486 45.100 0.016 0.000 0.866 712 G HN 0.962 nan 8.290 nan 0.000 0.534 713 M N 0.962 120.545 119.600 -0.027 0.000 2.248 713 M HA 0.204 4.676 4.480 -0.013 0.000 0.345 713 M C 1.229 177.493 176.300 -0.059 0.000 1.243 713 M CA 0.031 55.320 55.300 -0.018 0.000 1.090 713 M CB 0.304 32.902 32.600 -0.003 0.000 1.683 713 M HN 0.509 nan 8.290 nan 0.000 0.450 714 R N 1.869 122.347 120.500 -0.036 0.000 2.546 714 R HA 0.230 4.563 4.340 -0.013 0.000 0.266 714 R C 1.238 177.519 176.300 -0.031 0.000 1.086 714 R CA -0.526 55.548 56.100 -0.043 0.000 1.160 714 R CB -0.016 30.266 30.300 -0.030 0.000 1.138 714 R HN 0.574 nan 8.270 nan 0.000 0.567 715 V N 1.592 121.487 119.914 -0.032 0.000 2.317 715 V HA -0.293 3.819 4.120 -0.013 0.000 0.251 715 V C 1.867 177.951 176.094 -0.015 0.000 1.065 715 V CA 2.122 64.408 62.300 -0.024 0.000 1.049 715 V CB -0.461 31.346 31.823 -0.027 0.000 0.651 715 V HN 0.636 nan 8.190 nan 0.000 0.450 716 E N -0.037 120.155 120.200 -0.013 0.000 2.106 716 E HA -0.171 4.171 4.350 -0.013 0.000 0.192 716 E C 1.944 178.548 176.600 0.008 0.000 0.984 716 E CA 1.312 57.710 56.400 -0.004 0.000 0.806 716 E CB -0.345 29.353 29.700 -0.003 0.000 0.750 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.117 120.289 120.400 0.011 0.000 2.144 717 D HA -0.090 4.542 4.640 -0.013 0.000 0.200 717 D C 1.964 178.283 176.300 0.031 0.000 0.978 717 D CA 0.745 54.762 54.000 0.028 0.000 0.833 717 D CB -0.074 40.746 40.800 0.033 0.000 0.961 717 D HN 0.067 nan 8.370 nan 0.000 0.470 718 V N 1.830 121.750 119.914 0.010 0.000 2.295 718 V HA -0.216 3.896 4.120 -0.013 0.000 0.246 718 V C 1.982 178.081 176.094 0.008 0.000 1.049 718 V CA 1.701 64.000 62.300 -0.000 0.000 1.024 718 V CB -0.450 31.363 31.823 -0.017 0.000 0.648 718 V HN 0.011 nan 8.190 nan 0.000 0.447 719 D N -0.005 120.399 120.400 0.005 0.000 2.116 719 D HA -0.179 4.454 4.640 -0.013 0.000 0.193 719 D C 2.413 178.726 176.300 0.022 0.000 0.998 719 D CA 1.407 55.411 54.000 0.008 0.000 0.836 719 D CB -0.290 40.511 40.800 0.001 0.000 0.951 719 D HN 0.342 nan 8.370 nan 0.000 0.449 720 R N -0.038 120.480 120.500 0.030 0.000 2.081 720 R HA -0.023 4.310 4.340 -0.013 0.000 0.235 720 R C 2.488 178.825 176.300 0.062 0.000 1.131 720 R CA 0.513 56.638 56.100 0.042 0.000 0.960 720 R CB -0.334 29.992 30.300 0.044 0.000 0.856 720 R HN 0.210 nan 8.270 nan 0.000 0.436 721 L N 0.527 121.796 121.223 0.077 0.000 2.093 721 L HA -0.189 4.143 4.340 -0.013 0.000 0.208 721 L C 1.378 178.316 176.870 0.113 0.000 1.085 721 L CA 1.274 56.187 54.840 0.121 0.000 0.755 721 L CB -0.222 41.927 42.059 0.150 0.000 0.904 721 L HN 0.231 nan 8.230 nan 0.000 0.435 722 D N -0.498 119.943 120.400 0.069 0.000 2.117 722 D HA -0.199 4.433 4.640 -0.013 0.000 0.198 722 D C 2.197 178.528 176.300 0.053 0.000 0.982 722 D CA 1.074 55.107 54.000 0.055 0.000 0.828 722 D CB -0.027 40.786 40.800 0.021 0.000 0.967 722 D HN 0.418 nan 8.370 nan 0.000 0.464 723 Q N 0.058 119.884 119.800 0.044 0.000 2.124 723 Q HA -0.097 4.235 4.340 -0.013 0.000 0.202 723 Q C 2.230 178.257 176.000 0.045 0.000 0.977 723 Q CA 0.946 56.771 55.803 0.037 0.000 0.850 723 Q CB 0.050 28.806 28.738 0.031 0.000 0.901 723 Q HN 0.132 nan 8.270 nan 0.000 0.429 724 R N -0.380 120.155 120.500 0.058 0.000 2.119 724 R HA 0.031 4.363 4.340 -0.013 0.000 0.222 724 R C -0.109 176.232 176.300 0.067 0.000 1.088 724 R CA 0.858 56.994 56.100 0.060 0.000 0.984 724 R CB 0.299 30.642 30.300 0.071 0.000 0.884 724 R HN 0.273 nan 8.270 nan 0.000 0.447 725 G N -0.105 108.750 108.800 0.091 0.000 3.355 725 G HA2 -0.263 3.689 3.960 -0.013 0.000 0.686 725 G HA3 -0.263 3.689 3.960 -0.013 0.000 0.686 725 G C -1.388 173.608 174.900 0.161 0.000 1.097 725 G CA -0.389 44.774 45.100 0.106 0.000 0.881 725 G HN 0.275 nan 8.290 nan 0.000 0.550 726 Y N 3.190 123.527 120.300 0.062 0.000 2.436 726 Y HA 0.581 5.123 4.550 -0.013 0.000 0.343 726 Y C 0.282 176.242 175.900 0.101 0.000 1.008 726 Y CA -1.149 57.008 58.100 0.095 0.000 1.241 726 Y CB 1.057 39.556 38.460 0.064 0.000 1.153 726 Y HN 0.638 nan 8.280 nan 0.000 0.521 727 N N 4.791 123.302 118.700 -0.316 0.000 2.558 727 N HA 0.361 5.093 4.740 -0.013 0.000 0.242 727 N C 0.264 175.528 175.510 -0.410 0.000 0.979 727 N CA 0.224 53.087 53.050 -0.312 0.000 0.931 727 N CB 1.293 39.711 38.487 -0.114 0.000 1.122 727 N HN 0.754 nan 8.380 nan 0.000 0.508 728 A N 2.973 125.474 122.820 -0.531 0.000 1.969 728 A HA -0.166 4.146 4.320 -0.013 0.000 0.218 728 A C 1.869 179.573 177.584 0.200 0.000 1.169 728 A CA 1.317 53.248 52.037 -0.176 0.000 0.635 728 A CB -0.476 18.350 19.000 -0.289 0.000 0.810 728 A HN 0.722 nan 8.150 nan 0.000 0.445 729 Q N 0.302 120.117 119.800 0.026 0.000 2.152 729 Q HA -0.239 4.093 4.340 -0.013 0.000 0.206 729 Q C 1.879 177.948 176.000 0.116 0.000 0.985 729 Q CA 2.276 58.115 55.803 0.060 0.000 0.863 729 Q CB -0.356 28.374 28.738 -0.013 0.000 0.904 729 Q HN 0.775 nan 8.270 nan 0.000 0.422 730 E N -1.376 118.830 120.200 0.011 0.000 2.070 730 E HA -0.252 4.090 4.350 -0.013 0.000 0.197 730 E C 1.576 178.098 176.600 -0.129 0.000 1.004 730 E CA 1.574 57.906 56.400 -0.113 0.000 0.805 730 E CB -0.232 29.299 29.700 -0.281 0.000 0.744 730 E HN 0.596 nan 8.360 nan 0.000 0.451 731 Y N -1.107 119.259 120.300 0.110 0.000 2.200 731 Y HA -0.211 4.331 4.550 -0.013 0.000 0.290 731 Y C 2.252 178.152 175.900 -0.001 0.000 1.137 731 Y CA 1.535 59.688 58.100 0.089 0.000 1.163 731 Y CB -0.710 37.858 38.460 0.181 0.000 0.988 731 Y HN 0.225 nan 8.280 nan 0.000 0.518 732 Y N 1.410 121.736 120.300 0.042 0.000 2.165 732 Y HA -0.299 4.243 4.550 -0.013 0.000 0.286 732 Y C 1.855 177.724 175.900 -0.052 0.000 1.155 732 Y CA 1.933 59.985 58.100 -0.079 0.000 1.164 732 Y CB -0.429 38.034 38.460 0.005 0.000 0.978 732 Y HN 0.094 nan 8.280 nan 0.000 0.513 733 D N -0.388 120.107 120.400 0.158 0.000 2.178 733 D HA -0.110 4.522 4.640 -0.013 0.000 0.202 733 D C 1.901 178.178 176.300 -0.038 0.000 0.974 733 D CA 1.331 55.366 54.000 0.059 0.000 0.841 733 D CB -0.118 40.730 40.800 0.079 0.000 0.953 733 D HN 0.478 nan 8.370 nan 0.000 0.478 734 R N -0.292 120.186 120.500 -0.036 0.000 2.308 734 R HA 0.280 4.613 4.340 -0.013 0.000 0.202 734 R C 0.332 176.615 176.300 -0.028 0.000 0.898 734 R CA 0.080 56.159 56.100 -0.035 0.000 1.046 734 R CB 1.123 31.398 30.300 -0.041 0.000 1.026 734 R HN 0.155 nan 8.270 nan 0.000 0.512 735 I N 2.175 122.714 120.570 -0.053 0.000 2.437 735 I HA 0.227 4.389 4.170 -0.013 0.000 0.279 735 I C -1.950 174.086 176.117 -0.136 0.000 1.028 735 I CA -2.348 58.926 61.300 -0.044 0.000 1.142 735 I CB 2.087 40.103 38.000 0.026 0.000 1.266 735 I HN -0.291 nan 8.210 nan 0.000 0.461 736 P HA -0.164 nan 4.420 nan 0.000 0.215 736 P C 1.197 178.411 177.300 -0.144 0.000 1.153 736 P CA 1.367 64.384 63.100 -0.138 0.000 0.853 736 P CB 0.303 31.952 31.700 -0.084 0.000 0.788 737 E N -1.031 119.122 120.200 -0.078 0.000 2.153 737 E HA -0.163 4.179 4.350 -0.013 0.000 0.194 737 E C 1.843 178.359 176.600 -0.141 0.000 0.988 737 E CA 0.697 57.067 56.400 -0.050 0.000 0.811 737 E CB -0.550 29.190 29.700 0.066 0.000 0.746 737 E HN 0.128 nan 8.360 nan 0.000 0.466 738 L N 1.054 122.112 121.223 -0.275 0.000 2.109 738 L HA -0.088 4.244 4.340 -0.013 0.000 0.207 738 L C 2.326 178.937 176.870 -0.432 0.000 1.086 738 L CA 1.490 56.003 54.840 -0.545 0.000 0.760 738 L CB -0.242 41.342 42.059 -0.793 0.000 0.910 738 L HN -0.102 nan 8.230 nan 0.000 0.437 739 R N -0.743 119.484 120.500 -0.455 0.000 2.083 739 R HA -0.253 4.079 4.340 -0.013 0.000 0.237 739 R C 2.385 178.520 176.300 -0.275 0.000 1.137 739 R CA 2.039 57.792 56.100 -0.579 0.000 0.951 739 R CB -0.344 29.542 30.300 -0.690 0.000 0.851 739 R HN 0.614 nan 8.270 nan 0.000 0.434 740 Q N 0.506 120.181 119.800 -0.208 0.000 2.077 740 Q HA -0.206 4.127 4.340 -0.013 0.000 0.206 740 Q C 2.056 178.001 176.000 -0.092 0.000 0.989 740 Q CA 2.210 57.932 55.803 -0.134 0.000 0.853 740 Q CB -0.178 28.484 28.738 -0.127 0.000 0.907 740 Q HN 0.479 nan 8.270 nan 0.000 0.418 741 I N 0.615 121.130 120.570 -0.092 0.000 2.163 741 I HA -0.297 3.865 4.170 -0.013 0.000 0.243 741 I C 2.170 178.309 176.117 0.035 0.000 1.085 741 I CA 0.794 62.078 61.300 -0.025 0.000 1.347 741 I CB -0.382 37.572 38.000 -0.076 0.000 1.044 741 I HN 0.335 nan 8.210 nan 0.000 0.408 742 I N 0.797 121.384 120.570 0.029 0.000 2.286 742 I HA -0.234 3.928 4.170 -0.013 0.000 0.248 742 I C 2.428 178.642 176.117 0.162 0.000 1.115 742 I CA 1.657 63.041 61.300 0.141 0.000 1.392 742 I CB -1.263 36.903 38.000 0.276 0.000 1.065 742 I HN 0.350 nan 8.210 nan 0.000 0.418 743 E N 0.283 120.556 120.200 0.122 0.000 2.150 743 E HA -0.212 4.130 4.350 -0.013 0.000 0.193 743 E C 2.167 178.826 176.600 0.098 0.000 0.985 743 E CA 0.777 57.242 56.400 0.108 0.000 0.814 743 E CB -0.070 29.664 29.700 0.056 0.000 0.752 743 E HN 0.575 nan 8.360 nan 0.000 0.466 744 Q N 0.408 120.251 119.800 0.071 0.000 2.079 744 Q HA -0.110 4.222 4.340 -0.013 0.000 0.200 744 Q C 2.324 178.511 176.000 0.312 0.000 0.974 744 Q CA 0.927 56.787 55.803 0.096 0.000 0.840 744 Q CB 0.002 28.710 28.738 -0.050 0.000 0.898 744 Q HN 0.295 nan 8.270 nan 0.000 0.430 745 L N -0.057 121.356 121.223 0.317 0.000 2.017 745 L HA -0.194 4.138 4.340 -0.013 0.000 0.208 745 L C 2.457 179.513 176.870 0.310 0.000 1.073 745 L CA 1.040 56.087 54.840 0.345 0.000 0.745 745 L CB -0.395 41.781 42.059 0.194 0.000 0.894 745 L HN 0.149 nan 8.230 nan 0.000 0.432 746 S N -0.265 115.570 115.700 0.224 0.000 2.368 746 S HA -0.158 4.304 4.470 -0.013 0.000 0.225 746 S C 2.076 176.777 174.600 0.168 0.000 1.030 746 S CA 1.570 59.880 58.200 0.184 0.000 0.999 746 S CB -0.240 63.049 63.200 0.148 0.000 0.844 746 S HN 0.607 nan 8.310 nan 0.000 0.459 747 S N 0.379 116.179 115.700 0.168 0.000 2.522 747 S HA 0.311 4.774 4.470 -0.013 0.000 0.227 747 S C 1.400 176.088 174.600 0.147 0.000 0.986 747 S CA 0.704 58.988 58.200 0.140 0.000 0.929 747 S CB -0.067 63.208 63.200 0.126 0.000 0.769 747 S HN 0.837 nan 8.310 nan 0.000 0.529 748 G N 0.572 109.492 108.800 0.199 0.000 2.131 748 G HA2 -0.266 3.686 3.960 -0.013 0.000 0.201 748 G HA3 -0.266 3.686 3.960 -0.013 0.000 0.201 748 G C 0.135 175.128 174.900 0.155 0.000 1.000 748 G CA 0.087 45.291 45.100 0.173 0.000 0.680 748 G HN 0.505 nan 8.290 nan 0.000 0.514 749 F N 0.200 120.160 119.950 0.016 0.000 2.171 749 F HA 0.204 4.723 4.527 -0.013 0.000 0.300 749 F C 1.893 177.508 175.800 -0.309 0.000 1.090 749 F CA 1.905 59.792 58.000 -0.189 0.000 1.293 749 F CB -0.025 38.782 39.000 -0.322 0.000 1.013 749 F HN 0.178 nan 8.300 nan 0.000 0.486 750 F N -0.343 119.747 119.950 0.233 0.000 2.727 750 F HA 0.196 4.715 4.527 -0.013 0.000 0.302 750 F C 0.641 176.540 175.800 0.166 0.000 1.097 750 F CA 0.238 58.333 58.000 0.158 0.000 1.330 750 F CB -0.098 39.026 39.000 0.206 0.000 1.084 750 F HN -0.037 nan 8.300 nan 0.000 0.578 751 S N -1.801 114.028 115.700 0.217 0.000 2.564 751 S HA 0.308 4.770 4.470 -0.013 0.000 0.141 751 S C -2.484 172.121 174.600 0.009 0.000 1.474 751 S CA -0.986 57.259 58.200 0.075 0.000 1.236 751 S CB 0.827 64.008 63.200 -0.031 0.000 1.481 751 S HN -0.176 nan 8.310 nan 0.000 0.397 752 P HA -0.006 nan 4.420 nan 0.000 0.220 752 P C 0.935 178.218 177.300 -0.029 0.000 1.148 752 P CA 1.013 64.083 63.100 -0.049 0.000 0.803 752 P CB 0.100 31.745 31.700 -0.093 0.000 0.782 753 K N -1.239 119.145 120.400 -0.027 0.000 2.323 753 K HA 0.088 4.400 4.320 -0.013 0.000 0.197 753 K C 0.572 177.163 176.600 -0.014 0.000 1.043 753 K CA 0.573 56.849 56.287 -0.019 0.000 0.997 753 K CB 0.237 32.727 32.500 -0.018 0.000 0.807 753 K HN 0.229 nan 8.250 nan 0.000 0.497 754 Q N 0.180 119.967 119.800 -0.022 0.000 2.798 754 Q HA 0.162 4.494 4.340 -0.013 0.000 0.250 754 Q C -2.374 173.608 176.000 -0.031 0.000 1.006 754 Q CA -1.701 54.085 55.803 -0.027 0.000 0.759 754 Q CB 1.604 30.318 28.738 -0.040 0.000 1.201 754 Q HN -0.091 nan 8.270 nan 0.000 0.486 755 P HA -0.192 nan 4.420 nan 0.000 0.219 755 P C 0.459 177.786 177.300 0.045 0.000 1.146 755 P CA 1.313 64.432 63.100 0.032 0.000 0.808 755 P CB 0.240 31.962 31.700 0.037 0.000 0.779 756 D N -1.207 119.205 120.400 0.020 0.000 2.463 756 D HA 0.014 4.647 4.640 -0.013 0.000 0.224 756 D C 1.463 177.761 176.300 -0.004 0.000 1.174 756 D CA -0.331 53.691 54.000 0.037 0.000 0.829 756 D CB -0.569 40.257 40.800 0.043 0.000 0.993 756 D HN 0.034 nan 8.370 nan 0.000 0.497 757 L N -0.290 120.861 121.223 -0.119 0.000 2.079 757 L HA 0.020 4.352 4.340 -0.013 0.000 0.210 757 L C 1.067 177.756 176.870 -0.300 0.000 1.081 757 L CA 1.601 56.269 54.840 -0.286 0.000 0.752 757 L CB -0.498 41.218 42.059 -0.571 0.000 0.896 757 L HN -0.015 nan 8.230 nan 0.000 0.433 758 F N -0.610 119.396 119.950 0.094 0.000 2.668 758 F HA 0.144 4.663 4.527 -0.013 0.000 0.297 758 F C 1.820 177.670 175.800 0.084 0.000 1.124 758 F CA -0.248 57.796 58.000 0.074 0.000 1.353 758 F CB -0.216 38.815 39.000 0.053 0.000 0.992 758 F HN 0.095 nan 8.300 nan 0.000 0.524 759 K N -0.444 120.077 120.400 0.203 0.000 2.147 759 K HA -0.166 4.146 4.320 -0.013 0.000 0.205 759 K C 0.963 177.665 176.600 0.169 0.000 1.049 759 K CA 1.851 58.238 56.287 0.166 0.000 0.936 759 K CB -0.202 32.373 32.500 0.124 0.000 0.722 759 K HN 0.058 nan 8.250 nan 0.000 0.446 760 D N 1.328 121.843 120.400 0.192 0.000 2.117 760 D HA -0.085 4.548 4.640 -0.013 0.000 0.197 760 D C 2.020 178.417 176.300 0.162 0.000 0.987 760 D CA 1.119 55.243 54.000 0.207 0.000 0.829 760 D CB -0.117 40.853 40.800 0.284 0.000 0.961 760 D HN 0.298 nan 8.370 nan 0.000 0.460 761 I N 0.373 121.036 120.570 0.155 0.000 2.179 761 I HA -0.225 3.937 4.170 -0.013 0.000 0.242 761 I C 2.445 178.586 176.117 0.041 0.000 1.088 761 I CA 0.604 61.953 61.300 0.082 0.000 1.357 761 I CB -0.237 37.803 38.000 0.067 0.000 1.051 761 I HN -0.117 nan 8.210 nan 0.000 0.409 762 V N 1.159 121.125 119.914 0.086 0.000 2.287 762 V HA -0.324 3.788 4.120 -0.013 0.000 0.248 762 V C 2.244 178.340 176.094 0.004 0.000 1.053 762 V CA 2.473 64.813 62.300 0.067 0.000 1.027 762 V CB -0.981 30.910 31.823 0.113 0.000 0.646 762 V HN 0.477 nan 8.190 nan 0.000 0.447 763 N N -0.237 118.496 118.700 0.054 0.000 2.069 763 N HA -0.220 4.512 4.740 -0.013 0.000 0.191 763 N C 1.851 177.277 175.510 -0.141 0.000 1.031 763 N CA 1.896 55.003 53.050 0.094 0.000 0.852 763 N CB -0.286 38.323 38.487 0.204 0.000 1.018 763 N HN 0.339 nan 8.380 nan 0.000 0.423 764 M N -0.229 119.195 119.600 -0.294 0.000 2.086 764 M HA -0.105 4.368 4.480 -0.013 0.000 0.261 764 M C 1.390 177.413 176.300 -0.461 0.000 1.067 764 M CA 1.307 56.178 55.300 -0.715 0.000 1.116 764 M CB -0.642 31.783 32.600 -0.292 0.000 1.348 764 M HN 0.201 nan 8.290 nan 0.000 0.407 765 L N 0.632 121.669 121.223 -0.310 0.000 2.046 765 L HA -0.200 4.133 4.340 -0.013 0.000 0.208 765 L C 2.433 178.966 176.870 -0.562 0.000 1.077 765 L CA 1.609 56.188 54.840 -0.435 0.000 0.747 765 L CB -1.145 40.717 42.059 -0.330 0.000 0.896 765 L HN 0.349 nan 8.230 nan 0.000 0.432 766 M N -2.051 117.289 119.600 -0.433 0.000 2.334 766 M HA -0.050 4.422 4.480 -0.013 0.000 0.266 766 M C 1.827 177.729 176.300 -0.664 0.000 1.082 766 M CA 1.368 56.331 55.300 -0.561 0.000 1.141 766 M CB -0.712 31.463 32.600 -0.708 0.000 1.380 766 M HN 0.332 nan 8.290 nan 0.000 0.440 767 H N -1.968 117.022 119.070 -0.134 0.000 2.926 767 H HA 0.187 4.735 4.556 -0.013 0.000 0.249 767 H C 0.138 175.505 175.328 0.065 0.000 0.963 767 H CA 0.647 56.684 56.048 -0.019 0.000 1.158 767 H CB 0.268 30.075 29.762 0.075 0.000 1.445 767 H HN 0.561 nan 8.280 nan 0.000 0.452 768 H N -1.141 117.987 119.070 0.097 0.000 2.712 768 H HA 0.304 4.852 4.556 -0.013 0.000 0.226 768 H C -1.199 174.152 175.328 0.037 0.000 1.422 768 H CA -0.632 55.459 56.048 0.071 0.000 1.270 768 H CB 0.064 29.870 29.762 0.073 0.000 1.891 768 H HN -0.132 nan 8.280 nan 0.000 0.518 769 D N 1.404 121.804 120.400 -0.000 0.000 2.411 769 D HA 0.139 4.771 4.640 -0.013 0.000 0.225 769 D C 0.882 177.118 176.300 -0.107 0.000 1.156 769 D CA -0.476 53.502 54.000 -0.037 0.000 0.874 769 D CB 0.780 41.539 40.800 -0.069 0.000 1.034 769 D HN 0.488 nan 8.370 nan 0.000 0.502 770 R N 2.329 122.673 120.500 -0.260 0.000 2.237 770 R HA -0.050 4.282 4.340 -0.013 0.000 0.219 770 R C 0.557 176.380 176.300 -0.795 0.000 1.080 770 R CA 0.909 56.636 56.100 -0.620 0.000 0.995 770 R CB 0.100 29.795 30.300 -1.008 0.000 0.875 770 R HN 0.414 nan 8.270 nan 0.000 0.462 771 F N 0.208 120.106 119.950 -0.087 0.000 2.683 771 F HA 0.276 4.796 4.527 -0.013 0.000 0.306 771 F C 0.030 175.701 175.800 -0.215 0.000 1.102 771 F CA -0.704 57.233 58.000 -0.104 0.000 1.244 771 F CB 0.266 39.265 39.000 -0.002 0.000 1.029 771 F HN -0.247 nan 8.300 nan 0.000 0.545 772 K N -0.411 119.790 120.400 -0.332 0.000 3.148 772 K HA -0.178 4.134 4.320 -0.013 0.000 0.267 772 K C 0.983 177.451 176.600 -0.219 0.000 0.996 772 K CA 0.231 56.133 56.287 -0.640 0.000 0.737 772 K CB -1.911 30.166 32.500 -0.706 0.000 1.308 772 K HN 0.214 nan 8.250 nan 0.000 0.470 773 V N -0.040 119.824 119.914 -0.083 0.000 2.287 773 V HA -0.290 3.822 4.120 -0.013 0.000 0.248 773 V C 1.967 178.192 176.094 0.218 0.000 1.053 773 V CA 2.330 64.663 62.300 0.055 0.000 1.027 773 V CB -0.516 31.339 31.823 0.053 0.000 0.646 773 V HN 0.485 nan 8.190 nan 0.000 0.447 774 F N 0.233 120.181 119.950 -0.004 0.000 2.216 774 F HA -0.180 4.339 4.527 -0.013 0.000 0.300 774 F C 2.529 178.108 175.800 -0.369 0.000 1.085 774 F CA 0.642 58.583 58.000 -0.100 0.000 1.326 774 F CB -0.370 38.591 39.000 -0.066 0.000 1.027 774 F HN 0.202 nan 8.300 nan 0.000 0.497 775 A N -0.476 122.175 122.820 -0.281 0.000 2.019 775 A HA -0.190 4.122 4.320 -0.013 0.000 0.219 775 A C 1.469 179.038 177.584 -0.025 0.000 1.164 775 A CA 1.828 53.619 52.037 -0.411 0.000 0.644 775 A CB -0.447 18.469 19.000 -0.139 0.000 0.805 775 A HN 0.224 nan 8.150 nan 0.000 0.449 776 D N -2.773 117.675 120.400 0.079 0.000 2.369 776 D HA 0.082 4.714 4.640 -0.013 0.000 0.211 776 D C 1.179 177.632 176.300 0.255 0.000 1.077 776 D CA -0.003 54.120 54.000 0.204 0.000 0.842 776 D CB -0.125 40.816 40.800 0.234 0.000 0.947 776 D HN 0.602 nan 8.370 nan 0.000 0.509 777 Y N 2.032 122.402 120.300 0.117 0.000 2.097 777 Y HA -0.211 4.332 4.550 -0.013 0.000 0.282 777 Y C 2.085 178.058 175.900 0.122 0.000 1.152 777 Y CA 1.840 60.018 58.100 0.130 0.000 1.136 777 Y CB 0.207 38.714 38.460 0.078 0.000 0.975 777 Y HN -0.109 nan 8.280 nan 0.000 0.498 778 E N 0.019 120.254 120.200 0.058 0.000 2.031 778 E HA -0.241 4.102 4.350 -0.013 0.000 0.193 778 E C 2.161 178.718 176.600 -0.071 0.000 0.994 778 E CA 1.584 57.956 56.400 -0.046 0.000 0.800 778 E CB -0.173 29.604 29.700 0.129 0.000 0.752 778 E HN 0.639 nan 8.360 nan 0.000 0.447 779 E N -0.221 120.012 120.200 0.056 0.000 2.153 779 E HA -0.200 4.142 4.350 -0.013 0.000 0.194 779 E C 1.909 178.488 176.600 -0.036 0.000 0.988 779 E CA 0.731 57.185 56.400 0.091 0.000 0.811 779 E CB -0.118 29.729 29.700 0.245 0.000 0.746 779 E HN 0.265 nan 8.360 nan 0.000 0.466 780 Y N 1.205 121.293 120.300 -0.353 0.000 2.163 780 Y HA -0.215 4.327 4.550 -0.013 0.000 0.288 780 Y C 2.151 177.656 175.900 -0.658 0.000 1.136 780 Y CA 0.972 58.557 58.100 -0.858 0.000 1.147 780 Y CB -0.475 37.517 38.460 -0.780 0.000 0.987 780 Y HN -0.208 nan 8.280 nan 0.000 0.509 781 V N 0.371 119.925 119.914 -0.601 0.000 2.343 781 V HA -0.308 3.804 4.120 -0.013 0.000 0.247 781 V C 2.350 178.213 176.094 -0.385 0.000 1.051 781 V CA 2.300 64.271 62.300 -0.549 0.000 1.036 781 V CB -0.664 30.865 31.823 -0.491 0.000 0.654 781 V HN 0.219 nan 8.190 nan 0.000 0.451 782 K N -0.533 119.703 120.400 -0.274 0.000 2.009 782 K HA -0.209 4.103 4.320 -0.013 0.000 0.210 782 K C 2.296 178.801 176.600 -0.158 0.000 1.049 782 K CA 1.979 58.173 56.287 -0.156 0.000 0.929 782 K CB -0.894 31.561 32.500 -0.075 0.000 0.714 782 K HN 0.536 nan 8.250 nan 0.000 0.440 783 C N 0.962 120.147 119.300 -0.192 0.000 2.425 783 C HA -0.100 4.353 4.460 -0.013 0.000 0.277 783 C C 2.502 177.318 174.990 -0.290 0.000 1.280 783 C CA 0.799 59.734 59.018 -0.140 0.000 1.744 783 C CB -0.769 26.918 27.740 -0.088 0.000 1.989 783 C HN 0.471 nan 8.230 nan 0.000 0.491 784 Q N 0.424 119.910 119.800 -0.523 0.000 2.170 784 Q HA -0.163 4.169 4.340 -0.013 0.000 0.203 784 Q C 2.004 177.811 176.000 -0.322 0.000 0.976 784 Q CA 1.615 57.068 55.803 -0.584 0.000 0.858 784 Q CB -0.386 27.757 28.738 -0.992 0.000 0.907 784 Q HN 0.766 nan 8.270 nan 0.000 0.433 785 E N 0.116 120.185 120.200 -0.218 0.000 2.106 785 E HA -0.117 4.225 4.350 -0.013 0.000 0.192 785 E C 2.038 178.598 176.600 -0.065 0.000 0.984 785 E CA 0.458 56.791 56.400 -0.111 0.000 0.806 785 E CB -0.005 29.648 29.700 -0.077 0.000 0.750 785 E HN 0.271 nan 8.360 nan 0.000 0.458 786 R N 0.515 120.983 120.500 -0.053 0.000 2.115 786 R HA -0.071 4.261 4.340 -0.013 0.000 0.230 786 R C 2.380 178.699 176.300 0.032 0.000 1.111 786 R CA 0.805 56.943 56.100 0.062 0.000 0.976 786 R CB -0.269 30.136 30.300 0.175 0.000 0.870 786 R HN 0.064 nan 8.270 nan 0.000 0.445 787 V N 0.622 120.359 119.914 -0.295 0.000 2.270 787 V HA -0.227 3.885 4.120 -0.013 0.000 0.245 787 V C 2.204 178.283 176.094 -0.025 0.000 1.043 787 V CA 1.963 63.984 62.300 -0.466 0.000 1.014 787 V CB -0.406 31.021 31.823 -0.660 0.000 0.645 787 V HN 0.268 nan 8.190 nan 0.000 0.447 788 S N 0.242 115.898 115.700 -0.073 0.000 2.383 788 S HA -0.199 4.263 4.470 -0.013 0.000 0.229 788 S C 2.215 176.872 174.600 0.095 0.000 1.030 788 S CA 1.449 59.641 58.200 -0.013 0.000 1.002 788 S CB -0.546 62.619 63.200 -0.058 0.000 0.829 788 S HN 0.650 nan 8.310 nan 0.000 0.467 789 A N 1.453 124.332 122.820 0.097 0.000 1.883 789 A HA -0.037 4.275 4.320 -0.013 0.000 0.217 789 A C 2.119 179.817 177.584 0.190 0.000 1.186 789 A CA 1.189 53.304 52.037 0.130 0.000 0.624 789 A CB -0.765 18.302 19.000 0.111 0.000 0.822 789 A HN 0.457 nan 8.150 nan 0.000 0.444 790 L N -2.088 119.307 121.223 0.287 0.000 2.056 790 L HA -0.170 4.163 4.340 -0.013 0.000 0.207 790 L C 2.512 179.650 176.870 0.447 0.000 1.078 790 L CA 1.948 57.032 54.840 0.407 0.000 0.749 790 L CB -0.472 41.947 42.059 0.600 0.000 0.901 790 L HN 0.597 nan 8.230 nan 0.000 0.433 791 Y N 1.012 121.449 120.300 0.228 0.000 2.315 791 Y HA -0.297 4.245 4.550 -0.012 0.000 0.288 791 Y C 2.440 178.272 175.900 -0.113 0.000 1.154 791 Y CA 1.698 59.666 58.100 -0.221 0.000 1.229 791 Y CB -0.078 38.035 38.460 -0.577 0.000 0.980 791 Y HN 0.074 nan 8.280 nan 0.000 0.540 792 K N -0.116 120.329 120.400 0.076 0.000 2.360 792 K HA -0.138 4.174 4.320 -0.013 0.000 0.201 792 K C 0.367 176.956 176.600 -0.018 0.000 1.046 792 K CA 0.764 57.075 56.287 0.039 0.000 0.945 792 K CB -0.098 32.466 32.500 0.107 0.000 0.750 792 K HN 0.066 nan 8.250 nan 0.000 0.464 793 N N 0.373 119.079 118.700 0.010 0.000 2.898 793 N HA 0.131 4.863 4.740 -0.013 0.000 0.245 793 N C -2.453 173.061 175.510 0.008 0.000 1.185 793 N CA -2.093 50.967 53.050 0.016 0.000 0.879 793 N CB 1.212 39.739 38.487 0.066 0.000 1.157 793 N HN -0.179 nan 8.380 nan 0.000 0.503 794 P HA -0.158 nan 4.420 nan 0.000 0.216 794 P C 1.381 178.688 177.300 0.012 0.000 1.150 794 P CA 1.066 64.094 63.100 -0.121 0.000 0.843 794 P CB 0.402 32.003 31.700 -0.164 0.000 0.787 795 R N 0.034 120.544 120.500 0.016 0.000 2.075 795 R HA -0.133 4.199 4.340 -0.013 0.000 0.232 795 R C 1.919 178.259 176.300 0.068 0.000 1.126 795 R CA 1.332 57.453 56.100 0.034 0.000 0.963 795 R CB -0.330 29.982 30.300 0.020 0.000 0.858 795 R HN 0.076 nan 8.270 nan 0.000 0.435 796 E N -0.015 120.236 120.200 0.085 0.000 2.152 796 E HA -0.211 4.131 4.350 -0.013 0.000 0.192 796 E C 1.601 178.281 176.600 0.133 0.000 0.983 796 E CA 0.603 57.058 56.400 0.092 0.000 0.818 796 E CB -0.422 29.331 29.700 0.088 0.000 0.758 796 E HN 0.503 nan 8.360 nan 0.000 0.467 797 W N 2.224 123.524 121.300 0.001 0.000 2.333 797 W HA -0.198 4.454 4.660 -0.014 0.000 0.316 797 W C 1.648 178.174 176.519 0.011 0.000 1.215 797 W CA 2.179 59.539 57.345 0.025 0.000 1.278 797 W CB -0.452 28.998 29.460 -0.017 0.000 1.154 797 W HN 0.033 nan 8.180 nan 0.000 0.486 798 T N 1.127 115.823 114.554 0.236 0.000 2.788 798 T HA -0.174 4.169 4.350 -0.013 0.000 0.268 798 T C 1.859 176.568 174.700 0.015 0.000 1.044 798 T CA 1.710 63.877 62.100 0.112 0.000 1.139 798 T CB -0.319 68.595 68.868 0.076 0.000 0.867 798 T HN 0.173 nan 8.240 nan 0.000 0.454 799 R N 0.403 120.918 120.500 0.025 0.000 2.096 799 R HA 0.082 4.415 4.340 -0.013 0.000 0.235 799 R C 2.514 178.803 176.300 -0.020 0.000 1.127 799 R CA 1.235 57.346 56.100 0.019 0.000 0.968 799 R CB -0.342 29.976 30.300 0.031 0.000 0.861 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.464 120.018 119.600 -0.078 0.000 2.175 800 M HA -0.150 4.322 4.480 -0.013 0.000 0.264 800 M C 1.939 178.144 176.300 -0.159 0.000 1.063 800 M CA 1.393 56.607 55.300 -0.144 0.000 1.119 800 M CB 0.151 32.607 32.600 -0.240 0.000 1.377 800 M HN -0.014 nan 8.290 nan 0.000 0.415 801 V N 0.920 120.718 119.914 -0.192 0.000 2.287 801 V HA -0.325 3.787 4.120 -0.013 0.000 0.248 801 V C 2.212 178.282 176.094 -0.039 0.000 1.053 801 V CA 2.138 64.358 62.300 -0.134 0.000 1.027 801 V CB -0.652 31.114 31.823 -0.094 0.000 0.646 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.514 120.053 120.570 -0.004 0.000 2.264 802 I HA -0.272 3.890 4.170 -0.013 0.000 0.248 802 I C 2.699 178.864 176.117 0.079 0.000 1.111 802 I CA 1.618 62.964 61.300 0.077 0.000 1.382 802 I CB -0.437 37.657 38.000 0.157 0.000 1.060 802 I HN 0.230 nan 8.210 nan 0.000 0.418 803 R N 0.454 120.978 120.500 0.040 0.000 2.120 803 R HA -0.119 4.213 4.340 -0.013 0.000 0.234 803 R C 2.041 178.369 176.300 0.047 0.000 1.123 803 R CA 1.238 57.361 56.100 0.037 0.000 0.975 803 R CB -0.452 29.854 30.300 0.010 0.000 0.866 803 R HN 0.533 nan 8.270 nan 0.000 0.446 804 N N 0.688 119.407 118.700 0.032 0.000 2.109 804 N HA -0.077 4.655 4.740 -0.013 0.000 0.188 804 N C 1.977 177.538 175.510 0.085 0.000 1.034 804 N CA 1.118 54.206 53.050 0.064 0.000 0.846 804 N CB -0.030 38.464 38.487 0.011 0.000 1.010 804 N HN 0.128 nan 8.380 nan 0.000 0.425 805 I N 1.619 122.229 120.570 0.066 0.000 2.208 805 I HA -0.233 3.929 4.170 -0.013 0.000 0.245 805 I C 2.415 178.578 176.117 0.077 0.000 1.097 805 I CA 0.913 62.257 61.300 0.073 0.000 1.363 805 I CB -0.328 37.709 38.000 0.062 0.000 1.051 805 I HN 0.088 nan 8.210 nan 0.000 0.413 806 A N 0.253 123.119 122.820 0.077 0.000 2.121 806 A HA -0.148 4.164 4.320 -0.013 0.000 0.218 806 A C 2.053 179.674 177.584 0.060 0.000 1.154 806 A CA 1.963 54.037 52.037 0.062 0.000 0.679 806 A CB -0.812 18.230 19.000 0.070 0.000 0.795 806 A HN 0.544 nan 8.150 nan 0.000 0.458 807 T N -3.248 111.356 114.554 0.084 0.000 3.129 807 T HA 0.170 4.512 4.350 -0.013 0.000 0.267 807 T C 1.152 175.947 174.700 0.157 0.000 1.018 807 T CA 0.642 62.797 62.100 0.093 0.000 0.903 807 T CB -0.237 68.685 68.868 0.090 0.000 1.067 807 T HN 0.468 nan 8.240 nan 0.000 0.549 808 S N 0.170 115.977 115.700 0.179 0.000 2.603 808 S HA 0.240 4.702 4.470 -0.013 0.000 0.220 808 S C 2.182 176.919 174.600 0.228 0.000 0.967 808 S CA 0.288 58.665 58.200 0.296 0.000 0.920 808 S CB -0.648 62.693 63.200 0.234 0.000 0.773 808 S HN 0.532 nan 8.310 nan 0.000 0.529 809 G N 2.651 111.506 108.800 0.092 0.000 2.442 809 G HA2 -0.278 3.674 3.960 -0.013 0.000 0.219 809 G HA3 -0.278 3.674 3.960 -0.013 0.000 0.219 809 G C 1.322 176.183 174.900 -0.065 0.000 1.141 809 G CA 1.000 46.119 45.100 0.033 0.000 0.763 809 G HN 0.616 nan 8.290 nan 0.000 0.554 810 K N -0.148 120.100 120.400 -0.254 0.000 2.211 810 K HA -0.053 4.259 4.320 -0.013 0.000 0.204 810 K C 1.243 177.538 176.600 -0.508 0.000 1.047 810 K CA 0.879 56.871 56.287 -0.492 0.000 0.935 810 K CB -0.279 31.736 32.500 -0.809 0.000 0.728 810 K HN 0.408 nan 8.250 nan 0.000 0.452 811 F N 0.867 120.847 119.950 0.049 0.000 2.664 811 F HA 0.150 4.668 4.527 -0.014 0.000 0.301 811 F C 0.737 176.582 175.800 0.075 0.000 1.126 811 F CA -0.610 57.426 58.000 0.059 0.000 1.373 811 F CB 0.431 39.462 39.000 0.052 0.000 1.042 811 F HN -0.116 nan 8.300 nan 0.000 0.535 812 S N 0.383 116.172 115.700 0.147 0.000 2.528 812 S HA 0.068 4.530 4.470 -0.013 0.000 0.277 812 S C 1.431 176.115 174.600 0.140 0.000 1.297 812 S CA -0.210 58.071 58.200 0.135 0.000 1.052 812 S CB 0.804 64.055 63.200 0.084 0.000 0.917 812 S HN 0.351 nan 8.310 nan 0.000 0.492 813 S N 3.225 119.033 115.700 0.181 0.000 2.547 813 S HA -0.066 4.396 4.470 -0.013 0.000 0.235 813 S C 0.882 175.547 174.600 0.107 0.000 0.980 813 S CA 0.618 58.950 58.200 0.220 0.000 0.941 813 S CB -0.318 63.089 63.200 0.344 0.000 0.763 813 S HN 0.786 nan 8.310 nan 0.000 0.532 814 D N 1.909 122.352 120.400 0.073 0.000 2.144 814 D HA -0.064 4.568 4.640 -0.013 0.000 0.200 814 D C 2.096 178.404 176.300 0.014 0.000 0.978 814 D CA 0.726 54.745 54.000 0.032 0.000 0.833 814 D CB -0.306 40.509 40.800 0.026 0.000 0.961 814 D HN 0.292 nan 8.370 nan 0.000 0.470 815 R N 0.821 121.331 120.500 0.017 0.000 2.066 815 R HA -0.073 4.259 4.340 -0.013 0.000 0.232 815 R C 1.851 178.146 176.300 -0.008 0.000 1.131 815 R CA 1.307 57.402 56.100 -0.009 0.000 0.955 815 R CB -0.748 29.533 30.300 -0.032 0.000 0.851 815 R HN 0.110 nan 8.270 nan 0.000 0.432 816 T N 2.203 116.778 114.554 0.035 0.000 2.684 816 T HA -0.127 4.216 4.350 -0.013 0.000 0.267 816 T C 1.918 176.629 174.700 0.017 0.000 1.036 816 T CA 1.410 63.551 62.100 0.069 0.000 1.148 816 T CB -0.113 68.888 68.868 0.221 0.000 0.863 816 T HN 0.106 nan 8.240 nan 0.000 0.436 817 I N 1.569 122.077 120.570 -0.103 0.000 2.315 817 I HA -0.060 4.103 4.170 -0.013 0.000 0.248 817 I C 2.927 179.006 176.117 -0.063 0.000 1.117 817 I CA 0.907 62.107 61.300 -0.167 0.000 1.404 817 I CB -1.598 36.297 38.000 -0.174 0.000 1.071 817 I HN 0.194 nan 8.210 nan 0.000 0.419 818 A N 0.224 123.024 122.820 -0.034 0.000 1.940 818 A HA -0.240 4.072 4.320 -0.013 0.000 0.219 818 A C 2.253 179.797 177.584 -0.067 0.000 1.176 818 A CA 1.464 53.486 52.037 -0.025 0.000 0.631 818 A CB -0.538 18.453 19.000 -0.015 0.000 0.814 818 A HN 0.507 nan 8.150 nan 0.000 0.446 819 Q N -1.825 117.915 119.800 -0.100 0.000 2.046 819 Q HA -0.163 4.169 4.340 -0.013 0.000 0.200 819 Q C 1.948 177.774 176.000 -0.290 0.000 0.975 819 Q CA 1.649 57.350 55.803 -0.169 0.000 0.836 819 Q CB -0.324 28.306 28.738 -0.179 0.000 0.896 819 Q HN 0.812 nan 8.270 nan 0.000 0.428 820 Y N 0.614 120.624 120.300 -0.483 0.000 2.114 820 Y HA -0.311 4.231 4.550 -0.013 0.000 0.282 820 Y C 2.473 177.798 175.900 -0.959 0.000 1.165 820 Y CA 1.349 58.900 58.100 -0.915 0.000 1.148 820 Y CB -0.464 37.120 38.460 -1.459 0.000 0.972 820 Y HN 0.172 nan 8.280 nan 0.000 0.504 821 A N 0.179 122.778 122.820 -0.368 0.000 1.877 821 A HA -0.220 4.092 4.320 -0.013 0.000 0.216 821 A C 2.237 179.841 177.584 0.034 0.000 1.186 821 A CA 2.023 54.097 52.037 0.061 0.000 0.620 821 A CB -0.558 18.551 19.000 0.182 0.000 0.822 821 A HN 0.432 nan 8.150 nan 0.000 0.443 822 R N -0.715 119.762 120.500 -0.038 0.000 2.093 822 R HA -0.021 4.311 4.340 -0.013 0.000 0.224 822 R C 1.797 178.076 176.300 -0.036 0.000 1.101 822 R CA 1.462 57.551 56.100 -0.019 0.000 0.979 822 R CB -0.141 30.142 30.300 -0.028 0.000 0.877 822 R HN 0.662 nan 8.270 nan 0.000 0.441 823 E N -0.579 119.559 120.200 -0.103 0.000 2.415 823 E HA 0.097 4.439 4.350 -0.013 0.000 0.197 823 E C 1.414 177.966 176.600 -0.080 0.000 1.007 823 E CA 0.407 56.750 56.400 -0.095 0.000 0.890 823 E CB 0.573 30.189 29.700 -0.141 0.000 0.891 823 E HN 0.286 nan 8.360 nan 0.000 0.496 824 I N -1.044 119.444 120.570 -0.136 0.000 3.570 824 I HA 0.027 4.189 4.170 -0.013 0.000 0.270 824 I C 1.333 177.594 176.117 0.239 0.000 1.162 824 I CA -0.029 61.248 61.300 -0.038 0.000 1.413 824 I CB 0.278 38.106 38.000 -0.287 0.000 1.437 824 I HN 0.108 nan 8.210 nan 0.000 0.457 825 W N 1.389 122.783 121.300 0.156 0.000 2.737 825 W HA 0.347 5.000 4.660 -0.013 0.000 0.262 825 W C 1.499 178.053 176.519 0.059 0.000 1.282 825 W CA 0.732 58.149 57.345 0.121 0.000 1.386 825 W CB -1.023 28.495 29.460 0.098 0.000 1.099 825 W HN 0.306 nan 8.180 nan 0.000 0.621 826 G N 1.273 110.214 108.800 0.234 0.000 2.225 826 G HA2 -0.129 3.823 3.960 -0.013 0.000 0.264 826 G HA3 -0.129 3.823 3.960 -0.013 0.000 0.264 826 G C -0.278 174.693 174.900 0.119 0.000 1.060 826 G CA 0.275 45.453 45.100 0.131 0.000 0.833 826 G HN 0.363 nan 8.290 nan 0.000 0.498 827 V N -4.109 115.897 119.914 0.153 0.000 2.823 827 V HA 0.892 5.004 4.120 -0.013 0.000 0.312 827 V C -0.248 175.905 176.094 0.098 0.000 1.072 827 V CA -1.717 60.653 62.300 0.116 0.000 0.937 827 V CB 2.321 34.220 31.823 0.125 0.000 1.013 827 V HN 0.128 nan 8.190 nan 0.000 0.430 828 E N 4.050 124.290 120.200 0.067 0.000 2.146 828 E HA 0.479 4.821 4.350 -0.013 0.000 0.282 828 E C -2.437 174.198 176.600 0.059 0.000 0.989 828 E CA -1.694 54.739 56.400 0.055 0.000 0.799 828 E CB 1.705 31.430 29.700 0.041 0.000 1.088 828 E HN 0.728 nan 8.360 nan 0.000 0.397 829 P HA 0.052 nan 4.420 nan 0.000 0.270 829 P C -0.472 176.857 177.300 0.048 0.000 1.223 829 P CA -0.264 62.869 63.100 0.056 0.000 0.785 829 P CB 0.816 32.545 31.700 0.049 0.000 0.923 830 S N 0.713 116.442 115.700 0.050 0.000 2.619 830 S HA 0.297 4.759 4.470 -0.013 0.000 0.280 830 S C 0.530 175.154 174.600 0.041 0.000 1.150 830 S CA -0.737 57.491 58.200 0.046 0.000 0.978 830 S CB 0.869 64.105 63.200 0.059 0.000 1.041 830 S HN 0.259 nan 8.310 nan 0.000 0.485 831 R N 2.388 122.907 120.500 0.033 0.000 2.310 831 R HA 0.156 4.488 4.340 -0.013 0.000 0.202 831 R C 0.070 176.382 176.300 0.019 0.000 0.933 831 R CA 0.155 56.273 56.100 0.029 0.000 1.054 831 R CB 0.020 30.337 30.300 0.029 0.000 0.985 831 R HN 0.704 nan 8.270 nan 0.000 0.489 832 Q N 1.016 120.827 119.800 0.018 0.000 2.337 832 Q HA 0.065 4.397 4.340 -0.013 0.000 0.270 832 Q C -0.232 175.760 176.000 -0.013 0.000 1.002 832 Q CA 0.231 56.037 55.803 0.006 0.000 0.888 832 Q CB 0.696 29.442 28.738 0.014 0.000 1.222 832 Q HN -0.188 nan 8.270 nan 0.000 0.400 833 R N 1.529 122.012 120.500 -0.028 0.000 2.543 833 R HA 0.200 4.532 4.340 -0.013 0.000 0.277 833 R C -0.434 175.821 176.300 -0.074 0.000 1.074 833 R CA 0.054 56.123 56.100 -0.050 0.000 1.076 833 R CB 0.388 30.658 30.300 -0.050 0.000 0.993 833 R HN 0.498 nan 8.270 nan 0.000 0.459 834 L N 5.416 126.576 121.223 -0.105 0.000 2.375 834 L HA 0.389 4.721 4.340 -0.013 0.000 0.271 834 L C -1.715 175.093 176.870 -0.103 0.000 1.107 834 L CA -2.087 52.661 54.840 -0.153 0.000 0.806 834 L CB 1.156 43.087 42.059 -0.214 0.000 1.146 834 L HN 0.478 nan 8.230 nan 0.000 0.447 835 P HA 0.070 nan 4.420 nan 0.000 0.268 835 P C -0.596 176.674 177.300 -0.049 0.000 1.204 835 P CA -0.221 62.844 63.100 -0.057 0.000 0.768 835 P CB 0.850 32.524 31.700 -0.044 0.000 0.842 836 A N 0.000 122.798 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486